N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide

C28H24ClN3O3 — CID 17251227

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21
InChIInChI=1S/C28H24ClN3O3/c1-18-10-11-21(29)14-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33)
InChIKeyFFGICZGZHQBRGS-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.80
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide (PubChem CID 17251227) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
PubChem CID17251227
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21
InChIInChI=1S/C28H24ClN3O3/c1-18-10-11-21(29)14-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33)
InChIKeyFFGICZGZHQBRGS-UHFFFAOYSA-N
XLogP4.80
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 17251217
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 50814347
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251216
N-(2,5-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251117
N-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767959
N-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
3-(5-chloro-2-methylanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109024452
2-(2-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 6615384
2-(3-chloro-9-oxoacridin-10-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 22330410
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide (CID 17251227) is N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCc3ccccc3C2)c2ccccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide?
The InChIKey is FFGICZGZHQBRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-18-10-11-21(29)14-24(18)30-26(33)17-32-25-9-5-4-8-22(25)23(15-27(32)34)28(35)31-13-12-19-6-2-3-7-20(19)16-31/h2-11,14-15H,12-13,16-17H2,1H3,(H,30,33).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide has a molecular weight of 485.97 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 17251227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).