8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one

C33H33FN2O — CID 142372712

IUPAC8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one
SMILESC=Cc1c(N2CCC(CC)C2)c(F)cc2c(=O)c(C(=C)C)cn(Cc3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C33H33FN2O/c1-5-23-16-17-35(19-23)32-27(6-2)31-28(18-30(32)34)33(37)29(22(3)4)21-36(31)20-24-12-14-26(15-13-24)25-10-8-7-9-11-25/h6-15,18,21,23H,2-3,5,16-17,19-20H2,1,4H3
InChIKeyWRDCTFTZDTURKI-UHFFFAOYSA-N
MW492.64 g/mol
LogP7.77
Rot. Bonds7

About 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one

8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one (PubChem CID 142372712) has the molecular formula C33H33FN2O and a molecular weight of 492.64 g/mol. Its IUPAC name is 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one.

Molecular Properties

Compound Name8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one
PubChem CID142372712
Molecular FormulaC33H33FN2O
Molecular Weight492.64 g/mol
Exact Mass492.26
IUPAC Name8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one
SMILESC=Cc1c(N2CCC(CC)C2)c(F)cc2c(=O)c(C(=C)C)cn(Cc3ccc(-c4ccccc4)cc3)c12
InChIInChI=1S/C33H33FN2O/c1-5-23-16-17-35(19-23)32-27(6-2)31-28(18-30(32)34)33(37)29(22(3)4)21-36(31)20-24-12-14-26(15-13-24)25-10-8-7-9-11-25/h6-15,18,21,23H,2-3,5,16-17,19-20H2,1,4H3
InChIKeyWRDCTFTZDTURKI-UHFFFAOYSA-N
XLogP7.77
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylic acid
CID 142372728
7-[3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylic acid
CID 146433459
6-fluoro-7-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-8-methoxy-4-oxo-1-[(3-phenylphenyl)methyl]quinoline-3-carboxylic acid
CID 134603936
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-8-methoxy-1-[[4-(4-methylphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 159638942
7-(3-ethyl-4-propylpyrrolidin-1-yl)-6-fluoro-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylic acid
CID 134603882
7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxo-1-(2-phenylethyl)quinoline-3-carboxylic acid
CID 134814335
3-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-4-methylidene-1-[(4-phenylphenyl)methyl]quinoline
CID 142372752
6-fluoro-4-oxo-1-[(4-phenylphenyl)methyl]-7-[[(3S)-pyrrolidin-3-yl]methylamino]quinoline-3-carboxylic acid
CID 146433531
7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid
CID 19992246
[(3S)-1-[6-fluoro-8-methoxy-3-(1-methoxyethenyl)-4-methylidene-1-[(4-phenylphenyl)methyl]quinolin-7-yl]pyrrolidin-3-yl]methanamine
CID 134603907
8-cyclopropyl-1-(2,4-difluorophenyl)-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19896657
6-fluoro-8-methoxy-1-(naphthalen-2-ylmethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 134603981

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one?
The IUPAC name of 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one (CID 142372712) is 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one.
What is the SMILES notation for 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one?
The canonical SMILES for 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one is C=Cc1c(N2CCC(CC)C2)c(F)cc2c(=O)c(C(=C)C)cn(Cc3ccc(-c4ccccc4)cc3)c12.
What is the InChIKey of 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one?
The InChIKey is WRDCTFTZDTURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN2O/c1-5-23-16-17-35(19-23)32-27(6-2)31-28(18-30(32)34)33(37)29(22(3)4)21-36(31)20-24-12-14-26(15-13-24)25-10-8-7-9-11-25/h6-15,18,21,23H,2-3,5,16-17,19-20H2,1,4H3.
What are the key properties of 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one?
8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one has a molecular weight of 492.64 g/mol, XLogP of 7.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-1-[(4-phenylphenyl)methyl]-3-prop-1-en-2-ylquinolin-4-one is sourced from PubChem (CID 142372712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).