N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide

C23H26N2O3 — CID 53101902

IUPACN-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
SMILESCC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)NC3CCCC3)c2C1
InChIInChI=1S/C23H26N2O3/c1-23(2)12-17-18(19(26)13-23)14-25(16-10-4-3-5-11-16)22(28)20(17)21(27)24-15-8-6-7-9-15/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,24,27)
InChIKeyCBGMJYMNVLORJX-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.66
Rot. Bonds3

About N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide

N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide (PubChem CID 53101902) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
PubChem CID53101902
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
SMILESCC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)NC3CCCC3)c2C1
InChIInChI=1S/C23H26N2O3/c1-23(2)12-17-18(19(26)13-23)14-25(16-10-4-3-5-11-16)22(28)20(17)21(27)24-15-8-6-7-9-15/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,24,27)
InChIKeyCBGMJYMNVLORJX-UHFFFAOYSA-N
XLogP3.66
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide
CID 53101829
N-(2-fluorophenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101625
N-(5-chloro-2,4-dimethoxyphenyl)-6,6-dimethyl-2-(4-methylphenyl)-3,8-dioxo-5,7-dihydroisoquinoline-4-carboxamide
CID 53101741
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6,6-dimethyl-2-(4-methylphenyl)-5,7-dihydroisoquinoline-3,8-dione
CID 53101762
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
N-(4-hydroxycyclohexyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 100815207
1-(4-benzamidophenyl)-N-cyclohexyl-2-oxopyridine-3-carboxamide
CID 53119460
3,6,6-trimethyl-4-oxo-N-(1-phenylpiperidin-3-yl)-5,7-dihydro-1-benzofuran-2-carboxamide
CID 86954412
N-cyclohexyl-1,2-diphenylimidazole-4-carboxamide
CID 22285498
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
N-cycloheptyl-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4571848

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide (CID 53101902) is N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide is CC1(C)CC(=O)c2cn(-c3ccccc3)c(=O)c(C(=O)NC3CCCC3)c2C1.
What is the InChIKey of N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
The InChIKey is CBGMJYMNVLORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-23(2)12-17-18(19(26)13-23)14-25(16-10-4-3-5-11-16)22(28)20(17)21(27)24-15-8-6-7-9-15/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide?
N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6,6-dimethyl-3,8-dioxo-2-phenyl-5,7-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 53101902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).