N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide

C22H23N3O — CID 46287873

IUPACN-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-11-13-16(14-12-15)21-20(18-9-5-6-10-19(18)24-25-21)22(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyYWPCNLCQAOFHCW-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.67
Rot. Bonds3

About N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide

N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide (PubChem CID 46287873) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
PubChem CID46287873
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide
SMILESCc1ccc(-c2nnc3ccccc3c2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H23N3O/c1-15-11-13-16(14-12-15)21-20(18-9-5-6-10-19(18)24-25-21)22(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26)
InChIKeyYWPCNLCQAOFHCW-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide (CID 46287873) is N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide is Cc1ccc(-c2nnc3ccccc3c2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide?
The InChIKey is YWPCNLCQAOFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-11-13-16(14-12-15)21-20(18-9-5-6-10-19(18)24-25-21)22(26)23-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,23,26).
What are the key properties of N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide?
N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methylphenyl)cinnoline-4-carboxamide is sourced from PubChem (CID 46287873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).