3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide

C40H30N4O2 — CID 3540473

IUPAC3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C40H30N4O2/c1-25-35(31-20-9-11-22-33(31)43-37(25)27-14-5-3-6-15-27)39(45)41-29-18-13-19-30(24-29)42-40(46)36-26(2)38(28-16-7-4-8-17-28)44-34-23-12-10-21-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46)
InChIKeyYFMOPAMBNHHJDI-UHFFFAOYSA-N
MW598.71 g/mol
LogP9.24
Rot. Bonds6

About 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide

3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 3540473) has the molecular formula C40H30N4O2 and a molecular weight of 598.71 g/mol. Its IUPAC name is 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID3540473
Molecular FormulaC40H30N4O2
Molecular Weight598.71 g/mol
Exact Mass598.24
IUPAC Name3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C40H30N4O2/c1-25-35(31-20-9-11-22-33(31)43-37(25)27-14-5-3-6-15-27)39(45)41-29-18-13-19-30(24-29)42-40(46)36-26(2)38(28-16-7-4-8-17-28)44-34-23-12-10-21-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46)
InChIKeyYFMOPAMBNHHJDI-UHFFFAOYSA-N
XLogP9.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide (CID 3540473) is 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is YFMOPAMBNHHJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O2/c1-25-35(31-20-9-11-22-33(31)43-37(25)27-14-5-3-6-15-27)39(45)41-29-18-13-19-30(24-29)42-40(46)36-26(2)38(28-16-7-4-8-17-28)44-34-23-12-10-21-32(34)36/h3-24H,1-2H3,(H,41,45)(H,42,46).
What are the key properties of 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide?
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 598.71 g/mol, XLogP of 9.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3540473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).