7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one

C14H17ClFN3O — CID 20791120

IUPAC7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one
SMILESCC(C)Nc1cc(=O)c2cc(F)c(Cl)nc2n1C(C)C
InChIInChI=1S/C14H17ClFN3O/c1-7(2)17-12-6-11(20)9-5-10(16)13(15)18-14(9)19(12)8(3)4/h5-8,17H,1-4H3
InChIKeyFIGHHESHFFHVND-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.59
Rot. Bonds3

About 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one

7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one (PubChem CID 20791120) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one
PubChem CID20791120
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one
SMILESCC(C)Nc1cc(=O)c2cc(F)c(Cl)nc2n1C(C)C
InChIInChI=1S/C14H17ClFN3O/c1-7(2)17-12-6-11(20)9-5-10(16)13(15)18-14(9)19(12)8(3)4/h5-8,17H,1-4H3
InChIKeyFIGHHESHFFHVND-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.59
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-Amino-2-propyl-1,8-naphthyridin-4-ol
CID 14686957
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
6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386580
7-(3-aminopyrrolidin-1-yl)-3-[[3-(diethylamino)propylamino]methyl]-6-fluoro-1H-1,8-naphthyridin-4-one
CID 44340368
7-Amino-2-methyl-1,8-naphthyridin-4-ol
CID 15588319
7-Chloro-1,8-naphthyridin-4-ol
CID 53485714
3-acetyl-7-(3-aminopyrrolidin-1-yl)-6-fluoro-1H-1,8-naphthyridin-4-one
CID 44340336
3-[[2-(dimethylamino)ethylamino]methyl]-6-fluoro-7-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one
CID 44340436
6-fluoro-7-pyrrolidin-1-yl-1H-1,8-naphthyridin-4-one
CID 44340437

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one?
The IUPAC name of 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one (CID 20791120) is 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one is CC(C)Nc1cc(=O)c2cc(F)c(Cl)nc2n1C(C)C.
What is the InChIKey of 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one?
The InChIKey is FIGHHESHFFHVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-7(2)17-12-6-11(20)9-5-10(16)13(15)18-14(9)19(12)8(3)4/h5-8,17H,1-4H3.
What are the key properties of 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one?
7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one has a molecular weight of 297.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20791120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).