1-(2-methoxyphenyl)-2-quinolin-4-ylethanone

C18H15NO2 — CID 11380387

IUPAC1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
SMILESCOc1ccccc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3
InChIKeyNEBTWYWRXKCIGL-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone

1-(2-methoxyphenyl)-2-quinolin-4-ylethanone (PubChem CID 11380387) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
PubChem CID11380387
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(2-methoxyphenyl)-2-quinolin-4-ylethanone
SMILESCOc1ccccc1C(=O)Cc1ccnc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3
InChIKeyNEBTWYWRXKCIGL-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone (CID 11380387) is 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone is COc1ccccc1C(=O)Cc1ccnc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone?
The InChIKey is NEBTWYWRXKCIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-18-9-5-3-7-15(18)17(20)12-13-10-11-19-16-8-4-2-6-14(13)16/h2-11H,12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone?
1-(2-methoxyphenyl)-2-quinolin-4-ylethanone has a molecular weight of 277.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-quinolin-4-ylethanone is sourced from PubChem (CID 11380387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).