N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide

C19H28N2O3 — CID 110670006

IUPACN-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)NC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-19(2)12-21(18(22)20-14-7-5-6-8-14)11-13-9-16(23-3)17(24-4)10-15(13)19/h9-10,14H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyHMHWFJQUKCUQMJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.45
Rot. Bonds3

About N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide

N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide (PubChem CID 110670006) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
PubChem CID110670006
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(C)(C)CN(C(=O)NC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-19(2)12-21(18(22)20-14-7-5-6-8-14)11-13-9-16(23-3)17(24-4)10-15(13)19/h9-10,14H,5-8,11-12H2,1-4H3,(H,20,22)
InChIKeyHMHWFJQUKCUQMJ-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
CID 110635847
1-(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-2-methylpropan-1-one
CID 110635796
N-cyclopentyl-7-(4-cyclopentylpiperazin-1-yl)-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide
CID 162731126
(6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-(2-methylphenyl)methanone
CID 110635807
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-(cyclopentylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760393
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
6,7-dimethoxy-N-[(3R)-2-oxoazepan-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94030524

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The IUPAC name of N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide (CID 110670006) is N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The canonical SMILES for N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide is COc1cc2c(cc1OC)C(C)(C)CN(C(=O)NC1CCCC1)C2.
What is the InChIKey of N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
The InChIKey is HMHWFJQUKCUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2)12-21(18(22)20-14-7-5-6-8-14)11-13-9-16(23-3)17(24-4)10-15(13)19/h9-10,14H,5-8,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide?
N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6,7-dimethoxy-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxamide is sourced from PubChem (CID 110670006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).