2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

C22H17N3O — CID 844557

IUPAC2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17N3O/c1-15-6-8-16(9-7-15)21-14-19(18-4-2-3-5-20(18)25-21)22(26)24-17-10-12-23-13-11-17/h2-14H,1H3,(H,23,24,26)
InChIKeyMQFQRMHMBCVPPL-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds3

About 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide

2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 844557) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID844557
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H17N3O/c1-15-6-8-16(9-7-15)21-14-19(18-4-2-3-5-20(18)25-21)22(26)24-17-10-12-23-13-11-17/h2-14H,1H3,(H,23,24,26)
InChIKeyMQFQRMHMBCVPPL-UHFFFAOYSA-N
XLogP4.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 844557) is 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccncc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is MQFQRMHMBCVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c1-15-6-8-16(9-7-15)21-14-19(18-4-2-3-5-20(18)25-21)22(26)24-17-10-12-23-13-11-17/h2-14H,1H3,(H,23,24,26).
What are the key properties of 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 844557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).