(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone

C22H18N2O2 — CID 20740481

IUPAC(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1O
InChIInChI=1S/C22H18N2O2/c1-15-8-9-18(12-21(15)25)22(26)20-7-4-10-24(20)14-16-11-17-5-2-3-6-19(17)23-13-16/h2-13,25H,14H2,1H3
InChIKeyUXFVDXUIHKYDAA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.33
Rot. Bonds4

About (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone

(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 20740481) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
PubChem CID20740481
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1O
InChIInChI=1S/C22H18N2O2/c1-15-8-9-18(12-21(15)25)22(26)20-7-4-10-24(20)14-16-11-17-5-2-3-6-19(17)23-13-16/h2-13,25H,14H2,1H3
InChIKeyUXFVDXUIHKYDAA-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (CID 20740481) is (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is Cc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1O.
What is the InChIKey of (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is UXFVDXUIHKYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-8-9-18(12-21(15)25)22(26)20-7-4-10-24(20)14-16-11-17-5-2-3-6-19(17)23-13-16/h2-13,25H,14H2,1H3.
What are the key properties of (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 20740481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).