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

C112H151Cl2N23O24 — CID 159781625

IUPAC6-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
SMILESC1COCCN1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(C=O)cnc1Cl.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Nc1ccc2[nH]c(=O)cc(Cl)c2c1.O=C(O)c1cc(CN2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/2C17H26N4O3.2C16H23N3O4.C15H21N3O4.C10H10N2O.C9H7ClN2O.C8H6ClNO3.C4H9NO/c2*1-2-18-17(22)15-11-14(13-20-3-7-23-8-4-20)12-19-16(15)21-5-9-24-10-6-21;2*1-21-16(20)14-10-13(12-18-2-6-22-7-3-18)11-17-15(14)19-4-8-23-9-5-19;19-15(20)13-9-12(11-17-1-5-21-6-2-17)10-16-14(13)18-3-7-22-8-4-18;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;10-7-4-9(13)12-8-2-1-5(11)3-6(7)8;1-13-8(12)6-2-5(4-11)3-10-7(6)9;1-3-6-4-2-5-1/h2*11-12H,2-10,13H2,1H3,(H,18,22);2*10-11H,2-9,12H2,1H3;9-10H,1-8,11H2,(H,19,20);2-5H,11H2,1H3,(H,12,13);1-4H,11H2,(H,12,13);2-4H,1H3;5H,1-4H2
InChIKeyNHKWCNZBQSNPND-UHFFFAOYSA-N
MW2274.48 g/mol
LogP6.65
Rot. Bonds24

About 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

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 (PubChem CID 159781625) has the molecular formula C112H151Cl2N23O24 and a molecular weight of 2274.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID159781625
Molecular FormulaC112H151Cl2N23O24
Molecular Weight2274.48 g/mol
Exact Mass2272.07
IUPAC Name6-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
SMILESC1COCCN1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(C=O)cnc1Cl.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Nc1ccc2[nH]c(=O)cc(Cl)c2c1.O=C(O)c1cc(CN2CCOCC2)cnc1N1CCOCC1
InChIInChI=1S/2C17H26N4O3.2C16H23N3O4.C15H21N3O4.C10H10N2O.C9H7ClN2O.C8H6ClNO3.C4H9NO/c2*1-2-18-17(22)15-11-14(13-20-3-7-23-8-4-20)12-19-16(15)21-5-9-24-10-6-21;2*1-21-16(20)14-10-13(12-18-2-6-22-7-3-18)11-17-15(14)19-4-8-23-9-5-19;19-15(20)13-9-12(11-17-1-5-21-6-2-17)10-16-14(13)18-3-7-22-8-4-18;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;10-7-4-9(13)12-8-2-1-5(11)3-6(7)8;1-13-8(12)6-2-5(4-11)3-10-7(6)9;1-3-6-4-2-5-1/h2*11-12H,2-10,13H2,1H3,(H,18,22);2*10-11H,2-9,12H2,1H3;9-10H,1-8,11H2,(H,19,20);2-5H,11H2,1H3,(H,12,13);1-4H,11H2,(H,12,13);2-4H,1H3;5H,1-4H2
InChIKeyNHKWCNZBQSNPND-UHFFFAOYSA-N
XLogP6.65
TPSA532.53 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002274.48
LogP ≤ 56.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

6-Chloro-4-(ethylamino)pyridine-3-carbaldehyde;[6-chloro-4-(ethylamino)-3-pyridinyl]methanol;7-chloro-1-ethyl-1,6-naphthyridin-2-one;ethanamine;ethyl 6-chloro-4-(ethylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;5-fluoropyridin-2-amine
CID 157183753
6-[4-(4-Acetylpiperazin-1-yl)anilino]-2-(cyclobutylamino)pyridine-3-carboxamide;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;6-chloro-2-(cyclobutylamino)pyridine-3-carboxamide;6-chloro-2-(cyclobutylamino)pyridine-3-carboxylic acid;2,6-dichloropyridine-3-carboxylic acid;methyl 6-chloro-2-(cyclobutylamino)pyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate
CID 157504308
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
magnesium;sodium;aniline;1-(2-anilino-3-pyridinyl)ethanone;carbanide;2-chloro-N-methoxy-N-methylpyridine-3-carboxamide;2-chloropyridine-3-carboxylic acid;1-(2-chloro-3-pyridinyl)ethanone;methanolate;N-methoxymethanamine;methyl 4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]benzoate;methyl 4-formylbenzoate;chloride
CID 157799302
7-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;ethyl 2-aminoacetate;ethyl 4-methylpentanoate;7-(hydroxymethyl)-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 6-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-5-nitropyridine-3-carboxylate;methyl 2-oxo-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine-7-carboxylate;hydrochloride
CID 158272436
7-Chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one;6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde;[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]methanol;3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-propan-2-yl-1,6-naphthyridin-2-one;ethyl 6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-(2,6-difluorophenyl)acetate;propan-2-amine
CID 158324007
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
4,6-dichloro-N-pyridin-3-ylpyridine-3-carboxamide;4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoic acid;ethyl 4-[[2-chloro-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate;ethyl 4-[[2-(ethylcarbamoylamino)-5-(pyridin-3-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 158457238
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
ethyl 5-chloro-6-[4-[[(1S)-1-phenylethyl]carbamoyl]piperazin-1-yl]pyridine-3-carboxylate;ethyl 5-chloro-6-[4-[(2-propan-2-ylphenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 158811449
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
tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;3-chloropyridine-4-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 159057954

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1COCCN1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.CCNC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(C=O)cnc1Cl.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Nc1ccc2[nH]c(=O)cc(Cl)c2c1.O=C(O)c1cc(CN2CCOCC2)cnc1N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is NHKWCNZBQSNPND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H26N4O3.2C16H23N3O4.C15H21N3O4.C10H10N2O.C9H7ClN2O.C8H6ClNO3.C4H9NO/c2*1-2-18-17(22)15-11-14(13-20-3-7-23-8-4-20)12-19-16(15)21-5-9-24-10-6-21;2*1-21-16(20)14-10-13(12-18-2-6-22-7-3-18)11-17-15(14)19-4-8-23-9-5-19;19-15(20)13-9-12(11-17-1-5-21-6-2-17)10-16-14(13)18-3-7-22-8-4-18;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;10-7-4-9(13)12-8-2-1-5(11)3-6(7)8;1-13-8(12)6-2-5(4-11)3-10-7(6)9;1-3-6-4-2-5-1/h2*11-12H,2-10,13H2,1H3,(H,18,22);2*10-11H,2-9,12H2,1H3;9-10H,1-8,11H2,(H,19,20);2-5H,11H2,1H3,(H,12,13);1-4H,11H2,(H,12,13);2-4H,1H3;5H,1-4H2.
What are the key properties of 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?
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 has a molecular weight of 2274.48 g/mol, XLogP of 6.65, 24 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159781625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).