5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide

C18H17ClN4O3 — CID 135360172

IUPAC5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide
SMILESC[C@H](Nc1ccc(C(N)=O)n(C)c1=O)c1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C18H17ClN4O3/c1-9(21-13-6-7-14(16(20)24)23(2)18(13)26)11-8-10-4-3-5-12(19)15(10)22-17(11)25/h3-9,21H,1-2H3,(H2,20,24)(H,22,25)/t9-/m0/s1
InChIKeyUOIOOPMPNCXWDL-VIFPVBQESA-N
MW372.81 g/mol
LogP2.15
Rot. Bonds4

About 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide

5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide (PubChem CID 135360172) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide
PubChem CID135360172
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide
SMILESC[C@H](Nc1ccc(C(N)=O)n(C)c1=O)c1cc2cccc(Cl)c2[nH]c1=O
InChIInChI=1S/C18H17ClN4O3/c1-9(21-13-6-7-14(16(20)24)23(2)18(13)26)11-8-10-4-3-5-12(19)15(10)22-17(11)25/h3-9,21H,1-2H3,(H2,20,24)(H,22,25)/t9-/m0/s1
InChIKeyUOIOOPMPNCXWDL-VIFPVBQESA-N
XLogP2.15
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide with MolForge

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Related Compounds

5-[[(1S)-1-(8-chloro-6-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
CID 135360082
8-chloro-3-[(1S)-1-[[4-(4,5-dimethylimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221826
N-[2-[1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethylamino]pyrimidin-4-yl]-N-(2-methylpropyl)acetamide
CID 146222018
8-chloro-3-[(1S)-1-[(4-imidazol-1-ylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 146221792
3-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methylpyrazole-5-carboxamide
CID 122637676
8-chloro-3-[(1S)-1-[[4-(1,3-oxazol-2-ylamino)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221947
3-[1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethylamino]benzamide
CID 135378436
8-chloro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146222023
8-chloro-3-hydroxy-1H-quinolin-2-one
CID 13271054
8-chloro-3-[(propan-2-ylamino)methyl]-1H-quinolin-2-one
CID 84634088
2-amino-3-(8-chloro-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84640250
8-chloro-3-(2-hydroxyethyl)-1H-quinolin-2-one
CID 12910805

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide?
The IUPAC name of 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide (CID 135360172) is 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide?
The canonical SMILES for 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide is C[C@H](Nc1ccc(C(N)=O)n(C)c1=O)c1cc2cccc(Cl)c2[nH]c1=O.
What is the InChIKey of 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide?
The InChIKey is UOIOOPMPNCXWDL-VIFPVBQESA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-9(21-13-6-7-14(16(20)24)23(2)18(13)26)11-8-10-4-3-5-12(19)15(10)22-17(11)25/h3-9,21H,1-2H3,(H2,20,24)(H,22,25)/t9-/m0/s1.
What are the key properties of 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide?
5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(8-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 135360172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).