7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one

C20H25ClFN3O — CID 20791113

IUPAC7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1cc(NC2CCCCC2)n(C2CCCCC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C20H25ClFN3O/c21-19-16(22)11-15-17(26)12-18(23-13-7-3-1-4-8-13)25(20(15)24-19)14-9-5-2-6-10-14/h11-14,23H,1-10H2
InChIKeyWXRJRFRHNSZZTQ-UHFFFAOYSA-N
MW377.89 g/mol
LogP5.44
Rot. Bonds3

About 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one

7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 20791113) has the molecular formula C20H25ClFN3O and a molecular weight of 377.89 g/mol. Its IUPAC name is 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one
PubChem CID20791113
Molecular FormulaC20H25ClFN3O
Molecular Weight377.89 g/mol
Exact Mass377.17
IUPAC Name7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one
SMILESO=c1cc(NC2CCCCC2)n(C2CCCCC2)c2nc(Cl)c(F)cc12
InChIInChI=1S/C20H25ClFN3O/c21-19-16(22)11-15-17(26)12-18(23-13-7-3-1-4-8-13)25(20(15)24-19)14-9-5-2-6-10-14/h11-14,23H,1-10H2
InChIKeyWXRJRFRHNSZZTQ-UHFFFAOYSA-N
XLogP5.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.89
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
7-chloro-N-[3-(cyclopentylamino)-3-oxo-1-phenylpropyl]-6-fluoro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44140339
2-Phenyl-7-piperidin-1-yl-[1,8]naphthyridin-4-ol
CID 11289724
7-Cyclohexylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 11415926
N-cyclohexyl-1-benzyl-7-chloro-1,8-naphthyridin-4(1H)-on-3-carboxamide
CID 16086900
7-chloro-N-cyclohexyl-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086901
7-chloro-N-cyclohexyl-1-[(4-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086907
N-(2-anilino-2-oxo-1-phenylethyl)-7-chloro-6-fluoro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44138530
6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386580
7-(3-aminopyrrolidin-1-yl)-6-fluoro-3-[(3-phenylpropylamino)methyl]-1H-1,8-naphthyridin-4-one
CID 44340349
7-(3-aminopyrrolidin-1-yl)-3-[[3-(diethylamino)propylamino]methyl]-6-fluoro-1H-1,8-naphthyridin-4-one
CID 44340368
7-chloro-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-6-fluoro-4-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxamide
CID 44138529

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one (CID 20791113) is 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one is O=c1cc(NC2CCCCC2)n(C2CCCCC2)c2nc(Cl)c(F)cc12.
What is the InChIKey of 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is WXRJRFRHNSZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O/c21-19-16(22)11-15-17(26)12-18(23-13-7-3-1-4-8-13)25(20(15)24-19)14-9-5-2-6-10-14/h11-14,23H,1-10H2.
What are the key properties of 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one?
7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 377.89 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 20791113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).