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

C29H27N3O3 — CID 17251217

IUPAC2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)c1
InChIInChI=1S/C29H27N3O3/c1-19-11-12-20(2)25(15-19)30-27(33)18-32-26-10-6-5-9-23(26)24(16-28(32)34)29(35)31-14-13-21-7-3-4-8-22(21)17-31/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,33)
InChIKeyKCMNKDJEVZSQSP-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.46
Rot. Bonds4

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

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 17251217) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID17251217
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC Name2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)c1
InChIInChI=1S/C29H27N3O3/c1-19-11-12-20(2)25(15-19)30-27(33)18-32-26-10-6-5-9-23(26)24(16-28(32)34)29(35)31-14-13-21-7-3-4-8-22(21)17-31/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,33)
InChIKeyKCMNKDJEVZSQSP-UHFFFAOYSA-N
XLogP4.46
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251227
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 50814347
N-(2,5-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251117
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-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251089
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17251163

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 17251217) is 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2c(=O)cc(C(=O)N3CCc4ccccc4C3)c3ccccc32)c1.
What is the InChIKey of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is KCMNKDJEVZSQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-19-11-12-20(2)25(15-19)30-27(33)18-32-26-10-6-5-9-23(26)24(16-28(32)34)29(35)31-14-13-21-7-3-4-8-22(21)17-31/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,30,33).
What are the key properties of 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 465.55 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 17251217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).