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

C29H25N3O4 — CID 23861238

IUPAC4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H25N3O4/c1-17-26(29(34)32-21-8-5-11-30-15-21)27(19-9-10-24-25(14-19)36-16-35-24)28-22(31-17)12-20(13-23(28)33)18-6-3-2-4-7-18/h2-11,14-15,20,27,31H,12-13,16H2,1H3,(H,32,34)
InChIKeyLJMIGYIBAFODER-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.81
Rot. Bonds4

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

4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23861238) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID23861238
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C29H25N3O4/c1-17-26(29(34)32-21-8-5-11-30-15-21)27(19-9-10-24-25(14-19)36-16-35-24)28-22(31-17)12-20(13-23(28)33)18-6-3-2-4-7-18/h2-11,14-15,20,27,31H,12-13,16H2,1H3,(H,32,34)
InChIKeyLJMIGYIBAFODER-UHFFFAOYSA-N
XLogP4.81
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4S,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1098445
methyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1098448
(4R,7R)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 98128274
(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
benzyl (4S,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1117587
2-methylpropyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1007514
cyclopentyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1123344
(4S,7R)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 28588109
N-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23861321
(4R,7R)-4-(1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92853586
(4S,7S)-4-(1,3-benzodioxol-5-yl)-7-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 92853583
(4S,7S)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1024367

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23861238) is 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2ccc3c(c2)OCO3)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is LJMIGYIBAFODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-17-26(29(34)32-21-8-5-11-30-15-21)27(19-9-10-24-25(14-19)36-16-35-24)28-22(31-17)12-20(13-23(28)33)18-6-3-2-4-7-18/h2-11,14-15,20,27,31H,12-13,16H2,1H3,(H,32,34).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23861238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).