[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone

C23H24N2O3 — CID 42749995

IUPAC[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C23H24N2O3/c1-15-6-9-20-18(12-15)19(23(26)25-10-4-5-11-25)14-21(24-20)17-8-7-16(27-2)13-22(17)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyAGYHYMJVNNHTLZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.46
Rot. Bonds4

About [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42749995) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID42749995
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(C)ccc3n2)c(OC)c1
InChIInChI=1S/C23H24N2O3/c1-15-6-9-20-18(12-15)19(23(26)25-10-4-5-11-25)14-21(24-20)17-8-7-16(27-2)13-22(17)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3
InChIKeyAGYHYMJVNNHTLZ-UHFFFAOYSA-N
XLogP4.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42749997
(2,4-dimethoxyphenyl)-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 55904206
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
CID 3967008

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 42749995) is [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(C)ccc3n2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AGYHYMJVNNHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-6-9-20-18(12-15)19(23(26)25-10-4-5-11-25)14-21(24-20)17-8-7-16(27-2)13-22(17)28-3/h6-9,12-14H,4-5,10-11H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42749995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).