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

C24H22N2O2 — CID 20740452

IUPAC(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCCOc1cc(C)ccc1C(=O)c1cccn1Cc1cnc2ccccc2c1
InChIInChI=1S/C24H22N2O2/c1-3-28-23-13-17(2)10-11-20(23)24(27)22-9-6-12-26(22)16-18-14-19-7-4-5-8-21(19)25-15-18/h4-15H,3,16H2,1-2H3
InChIKeyQIXSXSGRQUTANK-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.02
Rot. Bonds6

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

(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 20740452) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
PubChem CID20740452
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCCOc1cc(C)ccc1C(=O)c1cccn1Cc1cnc2ccccc2c1
InChIInChI=1S/C24H22N2O2/c1-3-28-23-13-17(2)10-11-20(23)24(27)22-9-6-12-26(22)16-18-14-19-7-4-5-8-21(19)25-15-18/h4-15H,3,16H2,1-2H3
InChIKeyQIXSXSGRQUTANK-UHFFFAOYSA-N
XLogP5.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (CID 20740452) is (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is CCOc1cc(C)ccc1C(=O)c1cccn1Cc1cnc2ccccc2c1.
What is the InChIKey of (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is QIXSXSGRQUTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-28-23-13-17(2)10-11-20(23)24(27)22-9-6-12-26(22)16-18-14-19-7-4-5-8-21(19)25-15-18/h4-15H,3,16H2,1-2H3.
What are the key properties of (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 20740452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).