N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C18H24N2O2 — CID 53147662

IUPACN-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H24N2O2/c1-20-16(21)12-13-8-6-7-11-15(13)17(20)18(22)19-14-9-4-2-3-5-10-14/h6-8,11,14,17H,2-5,9-10,12H2,1H3,(H,19,22)
InChIKeyFNWRAMXLJMYNGM-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.58
Rot. Bonds2

About N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147662) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147662
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCN1C(=O)Cc2ccccc2C1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H24N2O2/c1-20-16(21)12-13-8-6-7-11-15(13)17(20)18(22)19-14-9-4-2-3-5-10-14/h6-8,11,14,17H,2-5,9-10,12H2,1H3,(H,19,22)
InChIKeyFNWRAMXLJMYNGM-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-cyclopentyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95051142
(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096121
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
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693
N-cyclohexyl-2-(2-hydroxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771680
N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147751
(1R)-N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096386
2-acetyl-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014903
(2S,3R)-N-cyclopentyl-4-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 95738078

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 53147662) is N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is CN1C(=O)Cc2ccccc2C1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is FNWRAMXLJMYNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20-16(21)12-13-8-6-7-11-15(13)17(20)18(22)19-14-9-4-2-3-5-10-14/h6-8,11,14,17H,2-5,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).