(3-methoxyphenyl)-quinolin-4-ylmethanone

C17H13NO2 — CID 86811128

IUPAC(3-methoxyphenyl)-quinolin-4-ylmethanone
SMILESCOc1cccc(C(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13NO2/c1-20-13-6-4-5-12(11-13)17(19)15-9-10-18-16-8-3-2-7-14(15)16/h2-11H,1H3
InChIKeyMPEADANAPRNPLG-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.47
Rot. Bonds3

About (3-methoxyphenyl)-quinolin-4-ylmethanone

(3-methoxyphenyl)-quinolin-4-ylmethanone (PubChem CID 86811128) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3-methoxyphenyl)-quinolin-4-ylmethanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-quinolin-4-ylmethanone
PubChem CID86811128
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(3-methoxyphenyl)-quinolin-4-ylmethanone
SMILESCOc1cccc(C(=O)c2ccnc3ccccc23)c1
InChIInChI=1S/C17H13NO2/c1-20-13-6-4-5-12(11-13)17(19)15-9-10-18-16-8-3-2-7-14(15)16/h2-11H,1H3
InChIKeyMPEADANAPRNPLG-UHFFFAOYSA-N
XLogP3.47
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-3-pyridinyl)-quinolin-4-ylmethanone
CID 105123960
(3-methoxyphenyl)-(2-methylquinolin-4-yl)methanone
CID 105078324
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(3-methoxypyrazin-2-yl)-quinolin-4-ylmethanone
CID 105126876
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanone
CID 139998060
3-methoxybenzoic acid;quinoline
CID 67785482
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(3-methoxyphenyl)-(3-phenylnaphthalen-1-yl)methanone
CID 44542422

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-quinolin-4-ylmethanone?
The IUPAC name of (3-methoxyphenyl)-quinolin-4-ylmethanone (CID 86811128) is (3-methoxyphenyl)-quinolin-4-ylmethanone.
What is the SMILES notation for (3-methoxyphenyl)-quinolin-4-ylmethanone?
The canonical SMILES for (3-methoxyphenyl)-quinolin-4-ylmethanone is COc1cccc(C(=O)c2ccnc3ccccc23)c1.
What is the InChIKey of (3-methoxyphenyl)-quinolin-4-ylmethanone?
The InChIKey is MPEADANAPRNPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-20-13-6-4-5-12(11-13)17(19)15-9-10-18-16-8-3-2-7-14(15)16/h2-11H,1H3.
What are the key properties of (3-methoxyphenyl)-quinolin-4-ylmethanone?
(3-methoxyphenyl)-quinolin-4-ylmethanone has a molecular weight of 263.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-quinolin-4-ylmethanone is sourced from PubChem (CID 86811128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).