N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide

C15H18N2O2 — CID 56764976

IUPACN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
SMILESO=C1NCCc2ccc(NC(=O)C3CCCC3)cc21
InChIInChI=1S/C15H18N2O2/c18-14(11-3-1-2-4-11)17-12-6-5-10-7-8-16-15(19)13(10)9-12/h5-6,9,11H,1-4,7-8H2,(H,16,19)(H,17,18)
InChIKeyFFDFIJQIHNAIPE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.10
Rot. Bonds2

About N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide

N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide (PubChem CID 56764976) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
PubChem CID56764976
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
SMILESO=C1NCCc2ccc(NC(=O)C3CCCC3)cc21
InChIInChI=1S/C15H18N2O2/c18-14(11-3-1-2-4-11)17-12-6-5-10-7-8-16-15(19)13(10)9-12/h5-6,9,11H,1-4,7-8H2,(H,16,19)(H,17,18)
InChIKeyFFDFIJQIHNAIPE-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
(3R)-1-(4-chlorophenyl)-5-oxo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)pyrrolidine-3-carboxamide
CID 95367754
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)adamantane-1-carboxamide
CID 90524773
2-ethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)butanamide
CID 90524707
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-2,2-diphenylacetamide
CID 56764999
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)thiophene-3-carboxamide
CID 56764977
4-tert-butyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524768
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide (CID 56764976) is N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide is O=C1NCCc2ccc(NC(=O)C3CCCC3)cc21.
What is the InChIKey of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide?
The InChIKey is FFDFIJQIHNAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(11-3-1-2-4-11)17-12-6-5-10-7-8-16-15(19)13(10)9-12/h5-6,9,11H,1-4,7-8H2,(H,16,19)(H,17,18).
What are the key properties of N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide?
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide is sourced from PubChem (CID 56764976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).