(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol

C23H22N2O — CID 23510469

IUPAC(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol
SMILESCc1ccc(C(O)c2c(C)ccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O/c1-16-7-9-19(10-8-16)23(26)22-17(2)11-12-25(22)15-18-13-20-5-3-4-6-21(20)24-14-18/h3-14,23,26H,15H2,1-2H3
InChIKeySDRNHHQIXAWKEC-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.78
Rot. Bonds4

About (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol

(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol (PubChem CID 23510469) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol
PubChem CID23510469
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol
SMILESCc1ccc(C(O)c2c(C)ccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C23H22N2O/c1-16-7-9-19(10-8-16)23(26)22-17(2)11-12-25(22)15-18-13-20-5-3-4-6-21(20)24-14-18/h3-14,23,26H,15H2,1-2H3
InChIKeySDRNHHQIXAWKEC-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol?
The IUPAC name of (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol (CID 23510469) is (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol?
The canonical SMILES for (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol is Cc1ccc(C(O)c2c(C)ccn2Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol?
The InChIKey is SDRNHHQIXAWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-7-9-19(10-8-16)23(26)22-17(2)11-12-25(22)15-18-13-20-5-3-4-6-21(20)24-14-18/h3-14,23,26H,15H2,1-2H3.
What are the key properties of (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol?
(4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-methyl-1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 23510469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).