N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide

C34H26N4O2 — CID 2297728

IUPACN-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3cnc4ccccc4c3C(=O)Nc3ccc(C)cc3)cnc3ccccc23)cc1
InChIInChI=1S/C34H26N4O2/c1-21-11-15-23(16-12-21)37-33(39)31-25-7-3-5-9-29(25)35-19-27(31)28-20-36-30-10-6-4-8-26(30)32(28)34(40)38-24-17-13-22(2)14-18-24/h3-20H,1-2H3,(H,37,39)(H,38,40)
InChIKeyYWYUYXGKTPFVGH-UHFFFAOYSA-N
MW522.61 g/mol
LogP7.57
Rot. Bonds5

About N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide

N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide (PubChem CID 2297728) has the molecular formula C34H26N4O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide
PubChem CID2297728
Molecular FormulaC34H26N4O2
Molecular Weight522.61 g/mol
Exact Mass522.21
IUPAC NameN-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3cnc4ccccc4c3C(=O)Nc3ccc(C)cc3)cnc3ccccc23)cc1
InChIInChI=1S/C34H26N4O2/c1-21-11-15-23(16-12-21)37-33(39)31-25-7-3-5-9-29(25)35-19-27(31)28-20-36-30-10-6-4-8-26(30)32(28)34(40)38-24-17-13-22(2)14-18-24/h3-20H,1-2H3,(H,37,39)(H,38,40)
InChIKeyYWYUYXGKTPFVGH-UHFFFAOYSA-N
XLogP7.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide (CID 2297728) is N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3cnc4ccccc4c3C(=O)Nc3ccc(C)cc3)cnc3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide?
The InChIKey is YWYUYXGKTPFVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O2/c1-21-11-15-23(16-12-21)37-33(39)31-25-7-3-5-9-29(25)35-19-27(31)28-20-36-30-10-6-4-8-26(30)32(28)34(40)38-24-17-13-22(2)14-18-24/h3-20H,1-2H3,(H,37,39)(H,38,40).
What are the key properties of N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide?
N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 7.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[4-[(4-methylphenyl)carbamoyl]quinolin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 2297728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).