1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one

C24H24N2O2 — CID 25018775

IUPAC1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one
SMILESCc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)N3C(C)C=CC3C)c2c1
InChIInChI=1S/C24H24N2O2/c1-16-9-12-20-22(13-16)25(15-23(27)26-17(2)10-11-18(26)3)14-21(24(20)28)19-7-5-4-6-8-19/h4-14,17-18H,15H2,1-3H3
InChIKeyCZEXJJNXGJUPOG-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.15
Rot. Bonds3

About 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one

1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one (PubChem CID 25018775) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one
PubChem CID25018775
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one
SMILESCc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)N3C(C)C=CC3C)c2c1
InChIInChI=1S/C24H24N2O2/c1-16-9-12-20-22(13-16)25(15-23(27)26-17(2)10-11-18(26)3)14-21(24(20)28)19-7-5-4-6-8-19/h4-14,17-18H,15H2,1-3H3
InChIKeyCZEXJJNXGJUPOG-UHFFFAOYSA-N
XLogP4.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 25016735
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 25016476
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 25015951
2-[7-methyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]acetonitrile
CID 59110332
1,7-dimethyl-3-(4-methylphenyl)quinolin-4-one
CID 59110361
1-(3-acetyl-6-methylindol-1-yl)propan-2-one
CID 126628917
2-(3-benzyl-6-methyl-4-oxoquinolin-1-yl)acetic acid
CID 141141284
7-methyl-3-phenyl-1H-quinolin-4-one
CID 59110346
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 177373997
1-ethenyl-3-(4-methylphenyl)-5-phenylpyridin-4-one
CID 21320870
7,9-dimethyl-1-phenylcarbazole
CID 118392012
N-[3-fluoro-4-[7-(hydroxymethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,2,6-trimethyl-4-oxoquinoline-3-carboxamide
CID 126617629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one?
The IUPAC name of 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one (CID 25018775) is 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one.
What is the SMILES notation for 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one?
The canonical SMILES for 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one is Cc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)N3C(C)C=CC3C)c2c1.
What is the InChIKey of 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one?
The InChIKey is CZEXJJNXGJUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-9-12-20-22(13-16)25(15-23(27)26-17(2)10-11-18(26)3)14-21(24(20)28)19-7-5-4-6-8-19/h4-14,17-18H,15H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one?
1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one has a molecular weight of 372.47 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-oxoethyl]-7-methyl-3-phenylquinolin-4-one is sourced from PubChem (CID 25018775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).