(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone

C18H15NO2 — CID 105078324

IUPAC(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H15NO2/c1-12-10-16(15-8-3-4-9-17(15)19-12)18(20)13-6-5-7-14(11-13)21-2/h3-11H,1-2H3
InChIKeyMRVZOEDFVLMALS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.78
Rot. Bonds3

About (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone

(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone (PubChem CID 105078324) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
PubChem CID105078324
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
SMILESCOc1cccc(C(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C18H15NO2/c1-12-10-16(15-8-3-4-9-17(15)19-12)18(20)13-6-5-7-14(11-13)21-2/h3-11H,1-2H3
InChIKeyMRVZOEDFVLMALS-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422
(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
CID 105095171
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
(3-cyanophenyl) 2-methylquinoline-4-carboxylate
CID 18080090
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone (CID 105078324) is (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone is COc1cccc(C(=O)c2cc(C)nc3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is MRVZOEDFVLMALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-12-10-16(15-8-3-4-9-17(15)19-12)18(20)13-6-5-7-14(11-13)21-2/h3-11H,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone?
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 277.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 105078324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).