1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one

C21H21FN4O2 — CID 7620901

IUPAC1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
SMILESCN1CCN(C(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)CC1
InChIInChI=1S/C21H21FN4O2/c1-24-9-11-25(12-10-24)20(27)17-13-15-6-4-8-23-19(15)26(21(17)28)14-16-5-2-3-7-18(16)22/h2-8,13H,9-12,14H2,1H3
InChIKeyVEZZDUIEOHOXSU-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.97
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one

1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one (PubChem CID 7620901) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
PubChem CID7620901
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one
SMILESCN1CCN(C(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)CC1
InChIInChI=1S/C21H21FN4O2/c1-24-9-11-25(12-10-24)20(27)17-13-15-6-4-8-23-19(15)26(21(17)28)14-16-5-2-3-7-18(16)22/h2-8,13H,9-12,14H2,1H3
InChIKeyVEZZDUIEOHOXSU-UHFFFAOYSA-N
XLogP1.97
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-2-one
CID 7620895
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996135
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
N-(2-cyanoethyl)-1-[(2-fluorophenyl)methyl]-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620906

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one (CID 7620901) is 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one is CN1CCN(C(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one?
The InChIKey is VEZZDUIEOHOXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-24-9-11-25(12-10-24)20(27)17-13-15-6-4-8-23-19(15)26(21(17)28)14-16-5-2-3-7-18(16)22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one?
1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one has a molecular weight of 380.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(4-methylpiperazine-1-carbonyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 7620901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).