4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

C15H15FN2O — CID 149421846

IUPAC4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCn1c2c(c(-c3ccccc3F)cc1=O)CNCC2
InChIInChI=1S/C15H15FN2O/c1-18-14-6-7-17-9-12(14)11(8-15(18)19)10-4-2-3-5-13(10)16/h2-5,8,17H,6-7,9H2,1H3
InChIKeyYTHZSABIPOYUIN-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.84
Rot. Bonds1

About 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one

4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 149421846) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID149421846
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESCn1c2c(c(-c3ccccc3F)cc1=O)CNCC2
InChIInChI=1S/C15H15FN2O/c1-18-14-6-7-17-9-12(14)11(8-15(18)19)10-4-2-3-5-13(10)16/h2-5,8,17H,6-7,9H2,1H3
InChIKeyYTHZSABIPOYUIN-UHFFFAOYSA-N
XLogP1.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
CID 169428435
3-(2-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82289154
3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 177345436
1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
CID 83875697
4-(2-fluorophenyl)-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridin-2-one
CID 15020583
1-(3-chloro-2-methylphenyl)-3-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110459079
8-fluoro-9-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 105494350
1-(2,6-difluorophenyl)-3-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 82586494
8-chloro-10-(2-fluorophenyl)-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 5136482
5,9-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 83880773
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
CID 66485037
11-(2-fluorophenyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one;dihydrochloride
CID 171338031

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 149421846) is 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is Cn1c2c(c(-c3ccccc3F)cc1=O)CNCC2.
What is the InChIKey of 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is YTHZSABIPOYUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-18-14-6-7-17-9-12(14)11(8-15(18)19)10-4-2-3-5-13(10)16/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one?
4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 258.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 149421846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).