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

C25H27N3O5 — CID 1230535

IUPAC(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5/c1-14-21(25(30)28-20-10-5-6-11-26-20)22(23-16(27-14)8-7-9-17(23)29)15-12-18(31-2)24(33-4)19(13-15)32-3/h5-6,10-13,22,27H,7-9H2,1-4H3,(H,26,28,30)/t22-/m0/s1
InChIKeyHFJTWOKRPYXTLB-QFIPXVFZSA-N
MW449.51 g/mol
LogP3.71
Rot. Bonds6

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

(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 1230535) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID1230535
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC
InChIInChI=1S/C25H27N3O5/c1-14-21(25(30)28-20-10-5-6-11-26-20)22(23-16(27-14)8-7-9-17(23)29)15-12-18(31-2)24(33-4)19(13-15)32-3/h5-6,10-13,22,27H,7-9H2,1-4H3,(H,26,28,30)/t22-/m0/s1
InChIKeyHFJTWOKRPYXTLB-QFIPXVFZSA-N
XLogP3.71
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230511
4-(4-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3555878
(4R)-4-(4-chlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230529
(4R)-4-(2,3-dimethoxyphenyl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022639
N-(5-bromo-2-pyridinyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3706938
(4S)-N-(5-bromo-2-pyridinyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230404
(4S)-2-methyl-5-oxo-N-pyridin-2-yl-4-quinoxalin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51409811
(4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92848352
(4S)-2,7,7-trimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1022566
(4R)-4-(2-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022641
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4585046
4-(3-methoxy-4-phenylmethoxyphenyl)-2,7,7-trimethyl-5-oxo-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3754836

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 1230535) is (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1cc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc(OC)c1OC.
What is the InChIKey of (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is HFJTWOKRPYXTLB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-14-21(25(30)28-20-10-5-6-11-26-20)22(23-16(27-14)8-7-9-17(23)29)15-12-18(31-2)24(33-4)19(13-15)32-3/h5-6,10-13,22,27H,7-9H2,1-4H3,(H,26,28,30)/t22-/m0/s1.
What are the key properties of (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 1230535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).