4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol

C19H19FN2O2 — CID 139309123

IUPAC4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol
SMILESCOc1cc(N2CCc3c(c4cc(F)ccc4n3C)C2)ccc1O
InChIInChI=1S/C19H19FN2O2/c1-21-16-5-3-12(20)9-14(16)15-11-22(8-7-17(15)21)13-4-6-18(23)19(10-13)24-2/h3-6,9-10,23H,7-8,11H2,1-2H3
InChIKeyFZICEZCFVVWIIG-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.59
Rot. Bonds2

About 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol

4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol (PubChem CID 139309123) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol
PubChem CID139309123
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol
SMILESCOc1cc(N2CCc3c(c4cc(F)ccc4n3C)C2)ccc1O
InChIInChI=1S/C19H19FN2O2/c1-21-16-5-3-12(20)9-14(16)15-11-22(8-7-17(15)21)13-4-6-18(23)19(10-13)24-2/h3-6,9-10,23H,7-8,11H2,1-2H3
InChIKeyFZICEZCFVVWIIG-UHFFFAOYSA-N
XLogP3.59
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 139309545
6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 139309662
cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
CID 71205730
6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 139309551
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-fluoro-2-methoxyphenyl)pyridin-2-one;hydrochloride
CID 68657538
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027
ethyl 4-[(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carbonyl)amino]benzoate
CID 42883379
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 69471549
2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid
CID 91054808
6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine
CID 157340258
4-[2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]phenol
CID 70934097

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol?
The IUPAC name of 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol (CID 139309123) is 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol.
What is the SMILES notation for 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol?
The canonical SMILES for 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol is COc1cc(N2CCc3c(c4cc(F)ccc4n3C)C2)ccc1O.
What is the InChIKey of 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol?
The InChIKey is FZICEZCFVVWIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-21-16-5-3-12(20)9-14(16)15-11-22(8-7-17(15)21)13-4-6-18(23)19(10-13)24-2/h3-6,9-10,23H,7-8,11H2,1-2H3.
What are the key properties of 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol?
4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol has a molecular weight of 326.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol is sourced from PubChem (CID 139309123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).