(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C19H26N2O2 — CID 95096121

IUPAC(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-21-17(22)13-14-9-7-8-12-16(14)18(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,18H,2-6,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyGYZRZXNNNPJASA-GOSISDBHSA-N
MW314.43 g/mol
LogP2.97
Rot. Bonds3

About (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 95096121) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID95096121
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-21-17(22)13-14-9-7-8-12-16(14)18(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,18H,2-6,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyGYZRZXNNNPJASA-GOSISDBHSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.97
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-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051142
(1S)-2-ethyl-N-[(4-fluorophenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096122
(2R,3R)-N-cyclopentyl-1-ethyl-2-(2-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 110086897
(1R)-2-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096125
N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147751
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680
(1R)-N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096129
(1S)-N-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096128
2-ethyl-1-(4-phenylpiperazine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147532
N-cyclooctyl-2-[(4-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585142
1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one
CID 53147591

Frequently Asked Questions

What is the IUPAC name of (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 95096121) is (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CCN1C(=O)Cc2ccccc2[C@@H]1C(=O)NC1CCCCCC1.
What is the InChIKey of (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is GYZRZXNNNPJASA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-21-17(22)13-14-9-7-8-12-16(14)18(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,18H,2-6,10-11,13H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 95096121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).