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

C26H29N3O5 — CID 4585046

IUPAC2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1OC
InChIInChI=1S/C26H29N3O5/c1-14-9-10-22(27-13-14)29-26(31)23-15(2)28-17-7-6-8-18(30)25(17)24(23)16-11-20(33-4)21(34-5)12-19(16)32-3/h9-13,24,28H,6-8H2,1-5H3,(H,27,29,31)
InChIKeyWCDIVRIAFSSDPO-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.02
Rot. Bonds6

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

2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 4585046) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID4585046
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCOc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1OC
InChIInChI=1S/C26H29N3O5/c1-14-9-10-22(27-13-14)29-26(31)23-15(2)28-17-7-6-8-18(30)25(17)24(23)16-11-20(33-4)21(34-5)12-19(16)32-3/h9-13,24,28H,6-8H2,1-5H3,(H,27,29,31)
InChIKeyWCDIVRIAFSSDPO-UHFFFAOYSA-N
XLogP4.02
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(3-chlorophenyl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 3556959
(4R)-2-methyl-N-(5-methyl-2-pyridinyl)-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1223831
(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
(4R)-4-(2,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230532
(4R)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1230511
(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
(4R)-4-(2-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022641
(4R)-4-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022568
(4R)-2-methyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1022510
(4R)-N-(2,6-difluorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 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) is 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is COc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1OC.
What is the InChIKey of 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is WCDIVRIAFSSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-14-9-10-22(27-13-14)29-26(31)23-15(2)28-17-7-6-8-18(30)25(17)24(23)16-11-20(33-4)21(34-5)12-19(16)32-3/h9-13,24,28H,6-8H2,1-5H3,(H,27,29,31).
What are the key properties of 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 4585046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).