4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide

C27H24ClN3O2 — CID 112822286

IUPAC4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C27H24ClN3O2/c1-17-21(16-25(32)30-24-15-19(13-14-22(24)28)27(33)31(2)3)26(18-9-5-4-6-10-18)20-11-7-8-12-23(20)29-17/h4-15H,16H2,1-3H3,(H,30,32)
InChIKeyOOBGASOBMGDORD-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.75
Rot. Bonds5

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

4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide (PubChem CID 112822286) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
PubChem CID112822286
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C27H24ClN3O2/c1-17-21(16-25(32)30-24-15-19(13-14-22(24)28)27(33)31(2)3)26(18-9-5-4-6-10-18)20-11-7-8-12-23(20)29-17/h4-15H,16H2,1-3H3,(H,30,32)
InChIKeyOOBGASOBMGDORD-UHFFFAOYSA-N
XLogP5.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
N-[4-methyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]phenyl]benzamide
CID 112834104
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-(methylamino)acetyl]amino]benzamide
CID 43697266
2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 112794963
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112794841
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-methyl-2-(2-methyl-4-phenylquinolin-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112761999
2-(2-methyl-4-phenylquinolin-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 112820574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide (CID 112822286) is 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide?
The InChIKey is OOBGASOBMGDORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-17-21(16-25(32)30-24-15-19(13-14-22(24)28)27(33)31(2)3)26(18-9-5-4-6-10-18)20-11-7-8-12-23(20)29-17/h4-15H,16H2,1-3H3,(H,30,32).
What are the key properties of 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide?
4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide has a molecular weight of 457.96 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 112822286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).