N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide

C23H24N2O3 — CID 42240655

IUPACN-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2
InChIInChI=1S/C23H24N2O3/c1-28-21-9-5-4-8-20(21)22(26)24-19-11-10-16-12-13-25(15-18(16)14-19)23(27)17-6-2-3-7-17/h4-6,8-11,14H,2-3,7,12-13,15H2,1H3,(H,24,26)
InChIKeyPDASUMMROXGQDU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.94
Rot. Bonds4

About N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide

N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide (PubChem CID 42240655) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
PubChem CID42240655
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2
InChIInChI=1S/C23H24N2O3/c1-28-21-9-5-4-8-20(21)22(26)24-19-11-10-16-12-13-25(15-18(16)14-19)23(27)17-6-2-3-7-17/h4-6,8-11,14H,2-3,7,12-13,15H2,1H3,(H,24,26)
InChIKeyPDASUMMROXGQDU-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
methyl 7-[(2-phenoxybenzoyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034862
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4-dimethoxybenzamide
CID 16942883
2-phenoxy-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942951
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-phenoxybenzamide
CID 16943485
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 30045895
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-fluorobenzamide
CID 16942831
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
N-[2-(2-methoxybenzoyl)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 53146445
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide (CID 42240655) is N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)CN(C(=O)C1=CCCC1)CC2.
What is the InChIKey of N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide?
The InChIKey is PDASUMMROXGQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-28-21-9-5-4-8-20(21)22(26)24-19-11-10-16-12-13-25(15-18(16)14-19)23(27)17-6-2-3-7-17/h4-6,8-11,14H,2-3,7,12-13,15H2,1H3,(H,24,26).
What are the key properties of N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide?
N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentene-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxybenzamide is sourced from PubChem (CID 42240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).