N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide

C23H18ClN3O — CID 46287953

IUPACN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O/c1-15-10-12-16(13-11-15)22-21(18-7-3-5-9-20(18)26-27-22)23(28)25-14-17-6-2-4-8-19(17)24/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWOEDFFMUVGMQCJ-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.19
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide

N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide (PubChem CID 46287953) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
PubChem CID46287953
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O/c1-15-10-12-16(13-11-15)22-21(18-7-3-5-9-20(18)26-27-22)23(28)25-14-17-6-2-4-8-19(17)24/h2-13H,14H2,1H3,(H,25,28)
InChIKeyWOEDFFMUVGMQCJ-UHFFFAOYSA-N
XLogP5.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
CID 46287897
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287876
N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287873
1-[(2-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133587
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
methyl 3-(4-chlorophenyl)cinnoline-4-carboxylate
CID 164575604
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
3-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 38089852
N-[[5-(azepan-1-ylmethyl)furan-2-yl]methyl]-3-phenylcinnoline-4-carboxamide
CID 46288077
N-(3-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288086
N-[(2-chlorophenyl)methyl]-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939142
N-[3-(N-ethylanilino)propyl]-3-phenylcinnoline-4-carboxamide
CID 46288010

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide (CID 46287953) is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide is Cc1ccc(-c2nnc3ccccc3c2C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide?
The InChIKey is WOEDFFMUVGMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c1-15-10-12-16(13-11-15)22-21(18-7-3-5-9-20(18)26-27-22)23(28)25-14-17-6-2-4-8-19(17)24/h2-13H,14H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide?
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide is sourced from PubChem (CID 46287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).