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

C22H18N2O2 — CID 20740497

IUPAC(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-19-10-8-17(9-11-19)22(25)21-7-4-12-24(21)15-16-13-18-5-2-3-6-20(18)23-14-16/h2-14H,15H2,1H3
InChIKeyNGKOIIKRVCBGBT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds5

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

(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 20740497) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
PubChem CID20740497
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C22H18N2O2/c1-26-19-10-8-17(9-11-19)22(25)21-7-4-12-24(21)15-16-13-18-5-2-3-6-20(18)23-14-16/h2-14H,15H2,1H3
InChIKeyNGKOIIKRVCBGBT-UHFFFAOYSA-N
XLogP4.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]benzamide
CID 20740516
(3-hydroxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740481
(2-ethoxy-4-methylphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740452
2-[5-methyl-2-[1-(quinolin-3-ylmethyl)pyrrole-2-carbonyl]phenoxy]acetic acid
CID 20740450
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
[1-(2-chloroethyl)pyrrol-2-yl]-(4-methoxyphenyl)methanone
CID 19914076
4-methylbenzene-1,3-dicarboxylic acid;1-(quinolin-3-ylmethyl)pyrrole-2-carbaldehyde
CID 174463773
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoxaline-3-carbonitrile
CID 10042094
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
3-[[2-(4-chlorobenzoyl)pyrrol-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 25069118
(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 19973184

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone (CID 20740497) is (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is COc1ccc(C(=O)c2cccn2Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is NGKOIIKRVCBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-19-10-8-17(9-11-19)22(25)21-7-4-12-24(21)15-16-13-18-5-2-3-6-20(18)23-14-16/h2-14H,15H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone?
(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 20740497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).