N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide

C16H17FN2O2 — CID 172901048

IUPACN-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C16H17FN2O2/c17-11-7-6-10-8-14(19-15(20)13(10)9-11)16(21)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,21)(H,19,20)
InChIKeyWXNAYMHPHASUDO-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.73
Rot. Bonds2

About N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide

N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 172901048) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID172901048
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc2ccc(F)cc2c(=O)[nH]1
InChIInChI=1S/C16H17FN2O2/c17-11-7-6-10-8-14(19-15(20)13(10)9-11)16(21)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,21)(H,19,20)
InChIKeyWXNAYMHPHASUDO-UHFFFAOYSA-N
XLogP2.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901032
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 171354096
N-[2-(cycloheptylamino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 119619169
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
7-chloro-N-cyclohexyl-1H-indole-2-carboxamide
CID 108791623
1-oxo-N-pyrrolidin-3-yl-2H-isoquinoline-3-carboxamide
CID 119449475
(2R)-N-cyclohexyl-2-[(6-fluoro-4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136827673
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide (CID 172901048) is N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide is O=C(NC1CCCCC1)c1cc2ccc(F)cc2c(=O)[nH]1.
What is the InChIKey of N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is WXNAYMHPHASUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-11-7-6-10-8-14(19-15(20)13(10)9-11)16(21)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H,18,21)(H,19,20).
What are the key properties of N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide?
N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 172901048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).