(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H20N4O2 — CID 51579766

IUPAC(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H20N4O2/c1-13-18(21(27)25-15-6-4-10-23-12-15)19(14-5-3-9-22-11-14)20-16(24-13)7-2-8-17(20)26/h3-6,9-12,19,24H,2,7-8H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyVMRDFKRYIYULAD-LJQANCHMSA-N
MW360.42 g/mol
LogP3.08
Rot. Bonds3

About (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51579766) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID51579766
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H20N4O2/c1-13-18(21(27)25-15-6-4-10-23-12-15)19(14-5-3-9-22-11-14)20-16(24-13)7-2-8-17(20)26/h3-6,9-12,19,24H,2,7-8H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyVMRDFKRYIYULAD-LJQANCHMSA-N
XLogP3.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1309011
2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23832831
ethanol;2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45053452
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92844182
ethyl (4S)-2-methyl-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 721403
(4S)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-4-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1342041
2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23832830
4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-3-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 23917015
(4S,7S)-N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024340
N-(3-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 22330873
(4S)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022458
N-(4-fluorophenyl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 5189765

Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51579766) is (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1.
What is the InChIKey of (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VMRDFKRYIYULAD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-18(21(27)25-15-6-4-10-23-12-15)19(14-5-3-9-22-11-14)20-16(24-13)7-2-8-17(20)26/h3-6,9-12,19,24H,2,7-8H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-5-oxo-N,4-dipyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51579766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).