6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane

C164H185BrN32O28 — CID 157421561

IUPAC6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
SMILESC1CCOCC1.CC(C)c1cc(=O)[nH]c2ccc(N)cc12.CC(C)c1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.CN1C(=O)CCc2cc(N)ccc21.CN1C(=O)CCc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc21.CN1Cc2cc(N)ccc2NC1=O.CN1Cc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc2CC1=O.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1
InChIInChI=1S/C22H24N4O3.2C20H22N4O3.C20H20N4O3.C12H14N2O.3C10H12N2O3.C10H12N2O.C10H10N2O.C9H11N3O.C6H4BrNO2.C5H10O/c1-14(2)17-13-20(27)25-19-6-5-15(12-18(17)19)24-22(28)16-4-3-7-23-21(16)26-8-10-29-11-9-26;1-23-17-6-5-15(13-14(17)4-7-18(23)25)22-20(26)16-3-2-8-21-19(16)24-9-11-27-12-10-24;1-23-13-15-11-16(5-4-14(15)12-18(23)25)22-20(26)17-3-2-6-21-19(17)24-7-9-27-10-8-24;1-13-11-18(25)23-17-5-4-14(12-16(13)17)22-20(26)15-3-2-6-21-19(15)24-7-9-27-10-8-24;1-7(2)9-6-12(15)14-11-4-3-8(13)5-10(9)11;3*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-5-6-4-7(10)2-3-8(6)11-9(12)13;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H,25,27);2-3,5-6,8,13H,4,7,9-12H2,1H3,(H,22,26);2-6,11H,7-10,12-13H2,1H3,(H,22,26);2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);3-7H,13H2,1-2H3,(H,14,15);3*1-3H,4-7H2,(H,13,14);3-4,6H,2,5,11H2,1H3;2-5H,11H2,1H3,(H,12,13);2-4H,5,10H2,1H3,(H,11,13);1-3H,(H,9,10);1-5H2
InChIKeyBPLUYSJYLCMKEM-UHFFFAOYSA-N
MW3132.38 g/mol
LogP19.88
Rot. Bonds21

About 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane

6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane (PubChem CID 157421561) has the molecular formula C164H185BrN32O28 and a molecular weight of 3132.38 g/mol. Its IUPAC name is 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane.

Molecular Properties

Compound Name6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
PubChem CID157421561
Molecular FormulaC164H185BrN32O28
Molecular Weight3132.38 g/mol
Exact Mass3129.32
IUPAC Name6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
SMILESC1CCOCC1.CC(C)c1cc(=O)[nH]c2ccc(N)cc12.CC(C)c1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.CN1C(=O)CCc2cc(N)ccc21.CN1C(=O)CCc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc21.CN1Cc2cc(N)ccc2NC1=O.CN1Cc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc2CC1=O.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1
InChIInChI=1S/C22H24N4O3.2C20H22N4O3.C20H20N4O3.C12H14N2O.3C10H12N2O3.C10H12N2O.C10H10N2O.C9H11N3O.C6H4BrNO2.C5H10O/c1-14(2)17-13-20(27)25-19-6-5-15(12-18(17)19)24-22(28)16-4-3-7-23-21(16)26-8-10-29-11-9-26;1-23-17-6-5-15(13-14(17)4-7-18(23)25)22-20(26)16-3-2-8-21-19(16)24-9-11-27-12-10-24;1-23-13-15-11-16(5-4-14(15)12-18(23)25)22-20(26)17-3-2-6-21-19(17)24-7-9-27-10-8-24;1-13-11-18(25)23-17-5-4-14(12-16(13)17)22-20(26)15-3-2-6-21-19(15)24-7-9-27-10-8-24;1-7(2)9-6-12(15)14-11-4-3-8(13)5-10(9)11;3*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-5-6-4-7(10)2-3-8(6)11-9(12)13;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H,25,27);2-3,5-6,8,13H,4,7,9-12H2,1H3,(H,22,26);2-6,11H,7-10,12-13H2,1H3,(H,22,26);2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);3-7H,13H2,1-2H3,(H,14,15);3*1-3H,4-7H2,(H,13,14);3-4,6H,2,5,11H2,1H3;2-5H,11H2,1H3,(H,12,13);2-4H,5,10H2,1H3,(H,11,13);1-3H,(H,9,10);1-5H2
InChIKeyBPLUYSJYLCMKEM-UHFFFAOYSA-N
XLogP19.88
TPSA794.03 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds21
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003132.38
LogP ≤ 519.88
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane with MolForge

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Related Compounds

6-amino-4,7-dimethyl-1H-quinolin-2-one;tris(2-bromo-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;3-fluoropyrrolidine;morpholine;dihydrochloride
CID 161938807
2-[6-(Dimethylamino)-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzoic acid
CID 59216491
2-(4-aminopiperidin-1-yl)benzonitrile;2-[4-[(5-bromo-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;5-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,6-dimethylpyridine-3-carboxylic acid;3,5-dibromo-2,6-dimethylpyridine;2-[4-[(5-ethenyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;(2R)-2-ethyl-1-pyridin-2-ylpiperazine;2-[4-[[5-[(3R)-3-ethyl-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile;2-[4-[(5-formyl-2,6-dimethyl-3-pyridinyl)methyl]piperidin-1-yl]benzonitrile;2-[4-[[5-[(3S)-3-(hydroxymethyl)-4-pyridin-2-ylpiperazine-1-carbonyl]-2,6-dimethyl-3-pyridinyl]methyl]piperidin-1-yl]benzonitrile
CID 157120738
6-amino-4-methoxy-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(4-methoxy-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane
CID 158397327
5-bromo-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-iodo-N-prop-2-enylpyridine-3-carboxamide;5-bromo-2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-methyl-2,7-naphthyridin-1-one;5-bromo-4-iodopyridine-3-carboxylic acid;5-bromopyridine-3-carboxylic acid;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-prop-2-enylaniline
CID 158468007
6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;4-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;oxane
CID 158487526
6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;8-methyl-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2,8-diaza-9-azoniatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-13-carboxamide;3-methylmorpholine;2-(3-methylmorpholin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine
CID 158766617
3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;2-bromo-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;2-bromopyridine-3-carboxylic acid;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide;oxane
CID 158944465
6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane
CID 159043076
6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine
CID 159285046
6-Tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]-3,4-dihydroisoquinolin-1-one;[2-(6-tert-butyl-1-oxo-3,4-dihydroisoquinolin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]methyl acetate
CID 159398846
aniline;carbon dioxide;2-[2-(N-[2-(2-hydroxypropan-2-yl)phenyl]anilino)-3-pyridinyl]propan-2-ol;methyl 2-anilinopyridine-3-carboxylate;methyl 2-bromopyridine-3-carboxylate;methyl 2-iodobenzoate;methyl 2-(N-(2-methylphenyl)anilino)pyridine-3-carboxylate;8,8,14,14-tetramethyl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 159775215

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane?
The IUPAC name of 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane (CID 157421561) is 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane.
What is the SMILES notation for 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane?
The canonical SMILES for 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane is C1CCOCC1.CC(C)c1cc(=O)[nH]c2ccc(N)cc12.CC(C)c1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.CN1C(=O)CCc2cc(N)ccc21.CN1C(=O)CCc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc21.CN1Cc2cc(N)ccc2NC1=O.CN1Cc2cc(NC(=O)c3cccnc3N3CCOCC3)ccc2CC1=O.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1.
What is the InChIKey of 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane?
The InChIKey is BPLUYSJYLCMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.2C20H22N4O3.C20H20N4O3.C12H14N2O.3C10H12N2O3.C10H12N2O.C10H10N2O.C9H11N3O.C6H4BrNO2.C5H10O/c1-14(2)17-13-20(27)25-19-6-5-15(12-18(17)19)24-22(28)16-4-3-7-23-21(16)26-8-10-29-11-9-26;1-23-17-6-5-15(13-14(17)4-7-18(23)25)22-20(26)16-3-2-8-21-19(16)24-9-11-27-12-10-24;1-23-13-15-11-16(5-4-14(15)12-18(23)25)22-20(26)17-3-2-6-21-19(17)24-7-9-27-10-8-24;1-13-11-18(25)23-17-5-4-14(12-16(13)17)22-20(26)15-3-2-6-21-19(15)24-7-9-27-10-8-24;1-7(2)9-6-12(15)14-11-4-3-8(13)5-10(9)11;3*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-12-9-4-3-8(11)6-7(9)2-5-10(12)13;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-5-6-4-7(10)2-3-8(6)11-9(12)13;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)(H,25,27);2-3,5-6,8,13H,4,7,9-12H2,1H3,(H,22,26);2-6,11H,7-10,12-13H2,1H3,(H,22,26);2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);3-7H,13H2,1-2H3,(H,14,15);3*1-3H,4-7H2,(H,13,14);3-4,6H,2,5,11H2,1H3;2-5H,11H2,1H3,(H,12,13);2-4H,5,10H2,1H3,(H,11,13);1-3H,(H,9,10);1-5H2.
What are the key properties of 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane?
6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane has a molecular weight of 3132.38 g/mol, XLogP of 19.88, 21 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1,4-dihydroquinazolin-2-one;6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;6-amino-4-propan-2-yl-1H-quinolin-2-one;2-bromopyridine-3-carboxylic acid;N-(2-methyl-3-oxo-1,4-dihydroisoquinolin-7-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;2-morpholin-4-yl-N-(2-oxo-4-propan-2-yl-1H-quinolin-6-yl)pyridine-3-carboxamide;tris(2-morpholin-4-ylpyridine-3-carboxylic acid);oxane is sourced from PubChem (CID 157421561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).