4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one

C16H12BrF2N3O2 — CID 177182274

IUPAC4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2c(N)c(Br)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C16H12BrF2N3O2/c1-8-6-11-14(21-7-8)13(20)12(17)15(23)22(11)9-2-4-10(5-3-9)24-16(18)19/h2-7,16H,20H2,1H3
InChIKeyNZODYGBAZSCEBE-UHFFFAOYSA-N
MW396.19 g/mol
LogP3.64
Rot. Bonds3

About 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one

4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one (PubChem CID 177182274) has the molecular formula C16H12BrF2N3O2 and a molecular weight of 396.19 g/mol. Its IUPAC name is 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
PubChem CID177182274
Molecular FormulaC16H12BrF2N3O2
Molecular Weight396.19 g/mol
Exact Mass395.01
IUPAC Name4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2c(N)c(Br)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1
InChIInChI=1S/C16H12BrF2N3O2/c1-8-6-11-14(21-7-8)13(20)12(17)15(23)22(11)9-2-4-10(5-3-9)24-16(18)19/h2-7,16H,20H2,1H3
InChIKeyNZODYGBAZSCEBE-UHFFFAOYSA-N
XLogP3.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182182
4-amino-7-cyclopropyl-1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182169
4-amino-1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-1,5-naphthyridin-2-one
CID 177182306
4-amino-1-[4-(difluoromethoxy)phenyl]-3-(2-propan-2-ylindazol-5-yl)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182236
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253622
6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253611
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
methyl 4-amino-7-(difluoromethoxy)-1-[4-(1-hydroxyethyl)phenyl]-2-oxoquinoline-3-carboxylate
CID 169207180
6-bromo-2-(2,2-difluoroethoxy)-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253623
1-[4-(difluoromethoxy)phenyl]-4-fluorobenzimidazol-2-amine
CID 60789832
2-[4-(difluoromethoxy)phenyl]-1,5-dimethylpyrazol-3-one
CID 3046480

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one (CID 177182274) is 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one is Cc1cnc2c(N)c(Br)c(=O)n(-c3ccc(OC(F)F)cc3)c2c1.
What is the InChIKey of 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one?
The InChIKey is NZODYGBAZSCEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O2/c1-8-6-11-14(21-7-8)13(20)12(17)15(23)22(11)9-2-4-10(5-3-9)24-16(18)19/h2-7,16H,20H2,1H3.
What are the key properties of 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one?
4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one has a molecular weight of 396.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-1-[4-(difluoromethoxy)phenyl]-7-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).