(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C16H20N2O2 — CID 95051142

IUPAC(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c1-18-14(19)10-11-6-2-5-9-13(11)15(18)16(20)17-12-7-3-4-8-12/h2,5-6,9,12,15H,3-4,7-8,10H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyYHGCDDGKYHMYIS-OAHLLOKOSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds2

About (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 95051142) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID95051142
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCC1
InChIInChI=1S/C16H20N2O2/c1-18-14(19)10-11-6-2-5-9-13(11)15(18)16(20)17-12-7-3-4-8-12/h2,5-6,9,12,15H,3-4,7-8,10H2,1H3,(H,17,20)/t15-/m1/s1
InChIKeyYHGCDDGKYHMYIS-OAHLLOKOSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147662
(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096121
1-benzoyl-2-methyl-1,4-dihydroisoquinolin-3-one
CID 13287162
N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147665
(2R,3R)-N-cyclohexyl-3-(2-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739795
(1R)-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096386
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014903
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680

Frequently Asked Questions

What is the IUPAC name of (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 95051142) is (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCC1.
What is the InChIKey of (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is YHGCDDGKYHMYIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18-14(19)10-11-6-2-5-9-13(11)15(18)16(20)17-12-7-3-4-8-12/h2,5-6,9,12,15H,3-4,7-8,10H2,1H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 95051142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).