(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone

C20H18FNO5 — CID 54578441

IUPAC(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(OC)c(OC)c(OC)cc3n2)cc1F
InChIInChI=1S/C20H18FNO5/c1-24-16-8-5-11(9-13(16)21)18(23)14-7-6-12-15(22-14)10-17(25-2)20(27-4)19(12)26-3/h5-10H,1-4H3
InChIKeyYTHLLBUGYAJETL-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.64
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone

(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone (PubChem CID 54578441) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone
PubChem CID54578441
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(OC)c(OC)c(OC)cc3n2)cc1F
InChIInChI=1S/C20H18FNO5/c1-24-16-8-5-11(9-13(16)21)18(23)14-7-6-12-15(22-14)10-17(25-2)20(27-4)19(12)26-3/h5-10H,1-4H3
InChIKeyYTHLLBUGYAJETL-UHFFFAOYSA-N
XLogP3.64
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
CID 78923588
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 51032771
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115604695
(3-fluoro-4-methoxyphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105097287
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone (CID 54578441) is (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone is COc1ccc(C(=O)c2ccc3c(OC)c(OC)c(OC)cc3n2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone?
The InChIKey is YTHLLBUGYAJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-24-16-8-5-11(9-13(16)21)18(23)14-7-6-12-15(22-14)10-17(25-2)20(27-4)19(12)26-3/h5-10H,1-4H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone has a molecular weight of 371.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxyquinolin-2-yl)methanone is sourced from PubChem (CID 54578441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).