N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide

C32H27N3O2 — CID 112834104

IUPACN-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C32H27N3O2/c1-21-17-18-25(34-32(37)24-13-7-4-8-14-24)19-29(21)35-30(36)20-27-22(2)33-28-16-10-9-15-26(28)31(27)23-11-5-3-6-12-23/h3-19H,20H2,1-2H3,(H,34,37)(H,35,36)
InChIKeyVZSZBNJCHVPVRR-UHFFFAOYSA-N
MW485.59 g/mol
LogP6.95
Rot. Bonds6

About N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide

N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide (PubChem CID 112834104) has the molecular formula C32H27N3O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
PubChem CID112834104
Molecular FormulaC32H27N3O2
Molecular Weight485.59 g/mol
Exact Mass485.21
IUPAC NameN-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C32H27N3O2/c1-21-17-18-25(34-32(37)24-13-7-4-8-14-24)19-29(21)35-30(36)20-27-22(2)33-28-16-10-9-15-26(28)31(27)23-11-5-3-6-12-23/h3-19H,20H2,1-2H3,(H,34,37)(H,35,36)
InChIKeyVZSZBNJCHVPVRR-UHFFFAOYSA-N
XLogP6.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 112820574
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
CID 112822286
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112771444
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide (CID 112834104) is N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is VZSZBNJCHVPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N3O2/c1-21-17-18-25(34-32(37)24-13-7-4-8-14-24)19-29(21)35-30(36)20-27-22(2)33-28-16-10-9-15-26(28)31(27)23-11-5-3-6-12-23/h3-19H,20H2,1-2H3,(H,34,37)(H,35,36).
What are the key properties of N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide?
N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 485.59 g/mol, XLogP of 6.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 112834104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).