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

C61H68BrN11O15 — CID 158397327

IUPAC6-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
SMILESC1CCOCC1.COc1cc(=O)[nH]c2ccc(N)cc12.COc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H20N4O4.2C10H12N2O3.C10H10N2O2.C6H4BrNO2.C5H10O/c1-27-17-12-18(25)23-16-5-4-13(11-15(16)17)22-20(26)14-3-2-6-21-19(14)24-7-9-28-10-8-24;2*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-14-9-5-10(13)12-8-3-2-6(11)4-7(8)9;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);2*1-3H,4-7H2,(H,13,14);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);1-5H2
InChIKeyGXRBGOGPFTVSGU-UHFFFAOYSA-N
MW1275.18 g/mol
LogP7.10
Rot. Bonds10

About 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

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 (PubChem CID 158397327) has the molecular formula C61H68BrN11O15 and a molecular weight of 1275.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID158397327
Molecular FormulaC61H68BrN11O15
Molecular Weight1275.18 g/mol
Exact Mass1273.41
IUPAC Name6-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
SMILESC1CCOCC1.COc1cc(=O)[nH]c2ccc(N)cc12.COc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1
InChIInChI=1S/C20H20N4O4.2C10H12N2O3.C10H10N2O2.C6H4BrNO2.C5H10O/c1-27-17-12-18(25)23-16-5-4-13(11-15(16)17)22-20(26)14-3-2-6-21-19(14)24-7-9-28-10-8-24;2*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-14-9-5-10(13)12-8-3-2-6(11)4-7(8)9;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);2*1-3H,4-7H2,(H,13,14);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);1-5H2
InChIKeyGXRBGOGPFTVSGU-UHFFFAOYSA-N
XLogP7.10
TPSA349.40 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001275.18
LogP ≤ 57.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
6-(benzylamino)-N-[6-(benzylamino)-2-pyridinyl]pyridine-3-carboxamide;6-N-[[6-(benzylamino)-3-pyridinyl]methyl]pyridine-2,6-diamine;6-bromo-N-(6-bromo-2-pyridinyl)pyridine-3-carboxamide;6-bromopyridin-2-amine;6-bromopyridine-3-carboxylic acid;methane
CID 157451491
(E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzyl-6-methylidenemorpholin-2-one;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;methane;2-methylidene-1H-3,1-benzoxazin-4-one;bis(prop-1-ene)
CID 157562650
6-amino-4-methyl-1H-quinolin-2-one;5-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide;bis(5-chloro-2-morpholin-4-ylpyridine-3-carboxylic acid);2,5-dichloropyridine-3-carboxylic acid;oxane
CID 157796366
2-Aminopyridine-3-carboxylic acid;2-(1-bromoethyl)-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethyl-3-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;2-ethylpyrido[2,3-d][1,3]oxazin-4-one;3-(4-fluorophenyl)-2-[1-(methylamino)ethyl]pyrido[2,3-d]pyrimidin-4-one;1-[1-[3-(4-fluorophenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea;methane
CID 158106084
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
2-amino-5-bromo-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;2-amino-5-bromopyridine-3-carboxylic acid;(E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid;tert-butyl (E)-3-[6-amino-5-(2-morpholin-4-ylethylcarbamoyl)-3-pyridinyl]prop-2-enoate;hydrobromide
CID 158572491
5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carbaldehyde;bis((3R,4R)-1-(5-bromo-3-ethanimidoyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol);(3R,4R)-1-(3-bromo-5-methyl-2-pyridinyl)-4-(cyclohexylamino)piperidin-3-ol;carbon dioxide;ethyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-ethylpyridine-3-carboxylate
CID 158735325
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
(E)-N-(2-aminophenyl)-3-[6-[2-(4-benzyl-2,6-dioxopiperazin-1-yl)ethylamino]-3-pyridinyl]prop-2-enamide;(E)-N-(2-aminophenyl)-3-[6-[2-(4-oxoquinazolin-3-yl)ethylamino]-3-pyridinyl]prop-2-enamide;4-benzyl-1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]piperazine-2,6-dione;4-benzylmorpholine-2,6-dione;3-[2-[(5-bromo-2-pyridinyl)amino]ethyl]quinazolin-4-one;N'-(5-bromo-2-pyridinyl)ethane-1,2-diamine;2,5-dibromopyridine;ethane-1,2-diamine;4-methylidene-1H-3,1-benzoxazin-2-one;bis(prop-1-ene)
CID 159289778
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
6-amino-4-chloro-1H-quinolin-2-one;6-amino-4-methyl-1H-quinolin-2-one;bis(N-ethyl-2-morpholin-4-yl-5-(morpholin-4-ylmethyl)pyridine-3-carboxamide);methyl 2-chloro-5-formylpyridine-3-carboxylate;bis(methyl 2-morpholin-4-yl-5-(morpholin-4-ylmethyl)pyridine-3-carboxylate);morpholine;2-morpholin-4-yl-5-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 159781625

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOCC1.COc1cc(=O)[nH]c2ccc(N)cc12.COc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCOCC3)cc12.O=C(O)c1cccnc1Br.O=C(O)c1cccnc1N1CCOCC1.O=C(O)c1cccnc1N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is GXRBGOGPFTVSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4.2C10H12N2O3.C10H10N2O2.C6H4BrNO2.C5H10O/c1-27-17-12-18(25)23-16-5-4-13(11-15(16)17)22-20(26)14-3-2-6-21-19(14)24-7-9-28-10-8-24;2*13-10(14)8-2-1-3-11-9(8)12-4-6-15-7-5-12;1-14-9-5-10(13)12-8-3-2-6(11)4-7(8)9;7-5-4(6(9)10)2-1-3-8-5;1-2-4-6-5-3-1/h2-6,11-12H,7-10H2,1H3,(H,22,26)(H,23,25);2*1-3H,4-7H2,(H,13,14);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);1-5H2.
What are the key properties of 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?
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 has a molecular weight of 1275.18 g/mol, XLogP of 7.10, 10 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158397327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).