N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C29H28N4O4 — CID 98246276

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(C)c(C)c5)[nH]c4c3c2)cc1OC
InChIInChI=1S/C29H28N4O4/c1-16-6-9-21(12-17(16)2)33-29(35)23-15-30-24-10-7-20(13-22(24)27(23)32-33)28(34)31-18(3)19-8-11-25(36-4)26(14-19)37-5/h6-15,18,32H,1-5H3,(H,31,34)/t18-/m0/s1
InChIKeyZILDOCKZVPURSR-SFHVURJKSA-N
MW496.57 g/mol
LogP4.99
Rot. Bonds6

About N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 98246276) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID98246276
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(C)c(C)c5)[nH]c4c3c2)cc1OC
InChIInChI=1S/C29H28N4O4/c1-16-6-9-21(12-17(16)2)33-29(35)23-15-30-24-10-7-20(13-22(24)27(23)32-33)28(34)31-18(3)19-8-11-25(36-4)26(14-19)37-5/h6-15,18,32H,1-5H3,(H,31,34)/t18-/m0/s1
InChIKeyZILDOCKZVPURSR-SFHVURJKSA-N
XLogP4.99
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Analyze N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-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

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132509
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132424
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylquinazoline-6-carboxamide
CID 71830080
N-butyl-2-(4-methoxyphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132461
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 98246276) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is COc1ccc([C@H](C)NC(=O)c2ccc3ncc4c(=O)n(-c5ccc(C)c(C)c5)[nH]c4c3c2)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is ZILDOCKZVPURSR-SFHVURJKSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-16-6-9-21(12-17(16)2)33-29(35)23-15-30-24-10-7-20(13-22(24)27(23)32-33)28(34)31-18(3)19-8-11-25(36-4)26(14-19)37-5/h6-15,18,32H,1-5H3,(H,31,34)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 98246276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).