N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide

C18H18N4O2 — CID 95980741

IUPACN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c23-17-13-5-2-1-4-12(13)10-15(21-17)18(24)20-14-6-3-7-16(14)22-9-8-19-11-22/h1-2,4-5,8-11,14,16H,3,6-7H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1
InChIKeyLXSNSQYZRRMLKK-ZBFHGGJFSA-N
MW322.37 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide

N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 95980741) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID95980741
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c23-17-13-5-2-1-4-12(13)10-15(21-17)18(24)20-14-6-3-7-16(14)22-9-8-19-11-22/h1-2,4-5,8-11,14,16H,3,6-7H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1
InChIKeyLXSNSQYZRRMLKK-ZBFHGGJFSA-N
XLogP2.25
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95569131
N-[2-[(2-imidazol-1-ylcyclopentyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60512615
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463
1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
CID 119449475
1-benzyl-N-[(1R,2R)-2-imidazol-1-ylcyclopentyl]indole-2-carboxamide
CID 95571320
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
N-(3-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120557419
3-fluoro-N-[(1S,2R)-2-imidazol-1-ylcyclopentyl]-4-pyrazol-1-ylbenzamide
CID 95572970
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-bromo-4-chloro-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 103763911
2-amino-4-bromo-N-(2-imidazol-1-ylcyclopentyl)benzamide
CID 79704385
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 136587523

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide (CID 95980741) is N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide is O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is LXSNSQYZRRMLKK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17-13-5-2-1-4-12(13)10-15(21-17)18(24)20-14-6-3-7-16(14)22-9-8-19-11-22/h1-2,4-5,8-11,14,16H,3,6-7H2,(H,20,24)(H,21,23)/t14-,16+/m1/s1.
What are the key properties of N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide?
N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-imidazol-1-ylcyclopentyl]-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 95980741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).