(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone

C17H13NO3 — CID 67838673

IUPAC(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone
SMILESCOc1c(O)c(C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13NO3/c1-21-17-12-9-5-6-10-13(12)18-14(16(17)20)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyIENZPNAIJWAZJD-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.18
Rot. Bonds3

About (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone

(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone (PubChem CID 67838673) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone
PubChem CID67838673
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone
SMILESCOc1c(O)c(C(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H13NO3/c1-21-17-12-9-5-6-10-13(12)18-14(16(17)20)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3
InChIKeyIENZPNAIJWAZJD-UHFFFAOYSA-N
XLogP3.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone?
The IUPAC name of (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone (CID 67838673) is (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone is COc1c(O)c(C(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone?
The InChIKey is IENZPNAIJWAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17-12-9-5-6-10-13(12)18-14(16(17)20)15(19)11-7-3-2-4-8-11/h2-10,20H,1H3.
What are the key properties of (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone?
(3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 67838673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).