[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol

C18H14BrF3N2O2 — CID 168873905

IUPAC[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol
SMILESCOc1cc2ncc(CO)c(NCc3c(F)cc(Br)cc3F)c2cc1F
InChIInChI=1S/C18H14BrF3N2O2/c1-26-17-5-16-11(4-15(17)22)18(9(8-25)6-23-16)24-7-12-13(20)2-10(19)3-14(12)21/h2-6,25H,7-8H2,1H3,(H,23,24)
InChIKeyBYHZEAXGFCGJGR-UHFFFAOYSA-N
MW427.22 g/mol
LogP4.53
Rot. Bonds5

About [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol

[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol (PubChem CID 168873905) has the molecular formula C18H14BrF3N2O2 and a molecular weight of 427.22 g/mol. Its IUPAC name is [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol
PubChem CID168873905
Molecular FormulaC18H14BrF3N2O2
Molecular Weight427.22 g/mol
Exact Mass426.02
IUPAC Name[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol
SMILESCOc1cc2ncc(CO)c(NCc3c(F)cc(Br)cc3F)c2cc1F
InChIInChI=1S/C18H14BrF3N2O2/c1-26-17-5-16-11(4-15(17)22)18(9(8-25)6-23-16)24-7-12-13(20)2-10(19)3-14(12)21/h2-6,25H,7-8H2,1H3,(H,23,24)
InChIKeyBYHZEAXGFCGJGR-UHFFFAOYSA-N
XLogP4.53
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-[(4-benzylsulfanyl-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]amino]acetic acid
CID 168873847
N-[(4-benzylsulfanyl-2,6-difluorophenyl)methyl]-6-fluoro-7-methoxy-3-nitroquinolin-4-amine
CID 168873971
4-N-[(4-bromo-2,6-difluorophenyl)methyl]-7-methoxy-1,8-naphthyridine-3,4-diamine
CID 168873863
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 43332367
3-cyano-6-fluoro-7-methoxy-4-[4-[(sulfinoamino)methyl]phenyl]quinoline
CID 155099918
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 65469563
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115134092
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
ethyl 6-bromo-7-methoxy-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 151694094
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43775873

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol?
The IUPAC name of [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol (CID 168873905) is [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol.
What is the SMILES notation for [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol?
The canonical SMILES for [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol is COc1cc2ncc(CO)c(NCc3c(F)cc(Br)cc3F)c2cc1F.
What is the InChIKey of [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol?
The InChIKey is BYHZEAXGFCGJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF3N2O2/c1-26-17-5-16-11(4-15(17)22)18(9(8-25)6-23-16)24-7-12-13(20)2-10(19)3-14(12)21/h2-6,25H,7-8H2,1H3,(H,23,24).
What are the key properties of [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol?
[4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol has a molecular weight of 427.22 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromo-2,6-difluorophenyl)methylamino]-6-fluoro-7-methoxyquinolin-3-yl]methanol is sourced from PubChem (CID 168873905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).