3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one

C18H19FN4O — CID 148667805

IUPAC3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1cc(NC)c(F)cc1C)c(=O)n2C
InChIInChI=1S/C18H19FN4O/c1-10-5-14(19)15(20-2)7-12(10)13-6-11-9-22-17(21-3)8-16(11)23(4)18(13)24/h5-9,20H,1-4H3,(H,21,22)
InChIKeyNPCCORAQWSAXKS-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.13
Rot. Bonds3

About 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one

3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one (PubChem CID 148667805) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
PubChem CID148667805
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one
SMILESCNc1cc2c(cn1)cc(-c1cc(NC)c(F)cc1C)c(=O)n2C
InChIInChI=1S/C18H19FN4O/c1-10-5-14(19)15(20-2)7-12(10)13-6-11-9-22-17(21-3)8-16(11)23(4)18(13)24/h5-9,20H,1-4H3,(H,21,22)
InChIKeyNPCCORAQWSAXKS-UHFFFAOYSA-N
XLogP3.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylthiophen-2-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69297383
1-(1-tert-butylpyrazol-4-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69041434
1-(3-tert-butyl-4-chloro-1,2-oxazol-5-yl)-3-[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69094751
1-(1-tert-butyl-2-methylpyrrol-3-yl)-3-[2,4-difluoro-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69037630
1-(1-tert-butyl-5-methylpyrazol-4-yl)-3-[2,4-difluoro-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]urea
CID 69038725
[4-chloro-N-[[2-fluoro-4-methyl-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]carbamoyl]-3-(trifluoromethyl)anilino] methanesulfonate
CID 87772048
1-[4-chloro-2-fluoro-5-[1-methyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 87771077
1-[5-[1-cyclopentyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-propan-2-ylurea
CID 24811151
1-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]-3-(3-propan-2-yl-1,2-oxazol-5-yl)urea
CID 68983439
1-(1-tert-butylpyrazol-4-yl)-3-[5-[1-ethyl-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-2-fluoro-4-methylphenyl]urea
CID 69297436
1-cyclohexyl-3-[2-fluoro-5-[1-[(3R)-3-hydroxycyclopentyl]-7-(methylamino)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]urea
CID 69297373
3-(5-amino-4-fluoro-2-methylphenyl)-1-methyl-7-phenyl-1,6-naphthyridin-2-one
CID 69296236

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one (CID 148667805) is 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one is CNc1cc2c(cn1)cc(-c1cc(NC)c(F)cc1C)c(=O)n2C.
What is the InChIKey of 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
The InChIKey is NPCCORAQWSAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-10-5-14(19)15(20-2)7-12(10)13-6-11-9-22-17(21-3)8-16(11)23(4)18(13)24/h5-9,20H,1-4H3,(H,21,22).
What are the key properties of 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one?
3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one has a molecular weight of 326.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-methyl-5-(methylamino)phenyl]-1-methyl-7-(methylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 148667805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).