4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile

C20H17ClN2O4 — CID 23153965

IUPAC4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(Cl)c3c(OC)cc(OC)cc32)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-13-6-4-12(5-7-13)11-23-16-8-14(26-2)9-17(27-3)18(16)19(21)15(10-22)20(23)24/h4-9H,11H2,1-3H3
InChIKeyLFGPJIZCXGSKFR-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.60
Rot. Bonds5

About 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile

4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile (PubChem CID 23153965) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
PubChem CID23153965
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile
SMILESCOc1ccc(Cn2c(=O)c(C#N)c(Cl)c3c(OC)cc(OC)cc32)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-13-6-4-12(5-7-13)11-23-16-8-14(26-2)9-17(27-3)18(16)19(21)15(10-22)20(23)24/h4-9H,11H2,1-3H3
InChIKeyLFGPJIZCXGSKFR-UHFFFAOYSA-N
XLogP3.60
TPSA73.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile (CID 23153965) is 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile is COc1ccc(Cn2c(=O)c(C#N)c(Cl)c3c(OC)cc(OC)cc32)cc1.
What is the InChIKey of 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is LFGPJIZCXGSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-25-13-6-4-12(5-7-13)11-23-16-8-14(26-2)9-17(27-3)18(16)19(21)15(10-22)20(23)24/h4-9H,11H2,1-3H3.
What are the key properties of 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile?
4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 384.82 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 23153965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).