5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile

C19H17ClN4O3 — CID 118955424

IUPAC5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3ccc(C#N)n(C)c3=O)cc2cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-10(22-15-5-4-12(9-21)24(2)19(15)26)13-6-11-7-14(20)17(27-3)8-16(11)23-18(13)25/h4-8,10,22H,1-3H3,(H,23,25)/t10-/m0/s1
InChIKeyNSSCFMGYDFCYNL-JTQLQIEISA-N
MW384.82 g/mol
LogP2.93
Rot. Bonds4

About 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile

5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile (PubChem CID 118955424) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
PubChem CID118955424
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
SMILESCOc1cc2[nH]c(=O)c([C@H](C)Nc3ccc(C#N)n(C)c3=O)cc2cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-10(22-15-5-4-12(9-21)24(2)19(15)26)13-6-11-7-14(20)17(27-3)8-16(11)23-18(13)25/h4-8,10,22H,1-3H3,(H,23,25)/t10-/m0/s1
InChIKeyNSSCFMGYDFCYNL-JTQLQIEISA-N
XLogP2.93
TPSA99.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[(6-Chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile
CID 118955625
(S)-5-((1-(6-chloro-7-(cyclopropylmethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-methyl-6-oxo-1,6-dihydropyridine-2-carbonitrile
CID 118955426
4-[(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]-2-methoxybenzonitrile
CID 118955554
4-[[6-chloro-7-(1-methylpiperidin-4-yl)oxy-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955597
4-((6-Chloro-7-(2-morpholinoethoxy)-2-oxo-1,2-dihydroquinolin-3-yl)methyl amino)-2-methoxybenzonitrile
CID 118955606
(S)-4-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-2-methoxy benzonitrile
CID 118955607
4-[[6-chloro-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955618
4-[[6-chloro-2-oxo-7-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955642
4-[[6-chloro-7-[(1-methylpiperidin-2-yl)methoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955672
4-[[6-chloro-7-[2-(dimethylamino)ethoxy]-2-oxo-1H-quinolin-3-yl]methylamino]-2-methoxybenzonitrile
CID 118955687
(3S,16E)-10,21-dichloro-N-(1-cyanocyclopropyl)-5,25-dioxo-19-oxa-4,14-diazatetracyclo[18.2.2.16,14.08,13]pentacosa-1(22),6,8(13),9,11,16,20,23-octaene-3-carboxamide
CID 137654285
6-chloro-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 155547940

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile?
The IUPAC name of 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile (CID 118955424) is 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile is COc1cc2[nH]c(=O)c([C@H](C)Nc3ccc(C#N)n(C)c3=O)cc2cc1Cl.
What is the InChIKey of 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile?
The InChIKey is NSSCFMGYDFCYNL-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-10(22-15-5-4-12(9-21)24(2)19(15)26)13-6-11-7-14(20)17(27-3)8-16(11)23-18(13)25/h4-8,10,22H,1-3H3,(H,23,25)/t10-/m0/s1.
What are the key properties of 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile?
5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile has a molecular weight of 384.82 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 118955424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).