2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

C15H18N2O2 — CID 53014903

IUPAC2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCC(=O)N1CCc2ccccc2C1C(=O)NC1CC1
InChIInChI=1S/C15H18N2O2/c1-10(18)17-9-8-11-4-2-3-5-13(11)14(17)15(19)16-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,16,19)
InChIKeyTWVKHUYELQXMTQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.41
Rot. Bonds2

About 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 53014903) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID53014903
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCC(=O)N1CCc2ccccc2C1C(=O)NC1CC1
InChIInChI=1S/C15H18N2O2/c1-10(18)17-9-8-11-4-2-3-5-13(11)14(17)15(19)16-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,16,19)
InChIKeyTWVKHUYELQXMTQ-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-N-[2,6-di(propan-2-yl)phenyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 68712464
tert-butyl 1-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 134337125
2-acetyl-N-(3-methoxypropyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 71838203
2-acetyl-N-[(2,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167550
2-acetyl-N-[(3,5-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167554
2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014905
(1R)-2-acetyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95101655
methyl (1R)-1-[[(3S)-2-oxothiolan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95985726
methyl 1-[(2-oxothiolan-3-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71794185
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 55531968
N-tert-butyl-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 126750078
2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 53014903) is 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is CC(=O)N1CCc2ccccc2C1C(=O)NC1CC1.
What is the InChIKey of 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is TWVKHUYELQXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)17-9-8-11-4-2-3-5-13(11)14(17)15(19)16-12-6-7-12/h2-5,12,14H,6-9H2,1H3,(H,16,19).
What are the key properties of 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 53014903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).