4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C21H22F2N2O3 — CID 171910741

IUPAC4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1N1CCCC1)C(c1ccc(F)c(OC)c1F)CC(=O)N2
InChIInChI=1S/C21H22F2N2O3/c1-27-18-11-16-14(9-17(18)25-7-3-4-8-25)13(10-19(26)24-16)12-5-6-15(22)21(28-2)20(12)23/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,24,26)
InChIKeyCSGQZCFMOFKTGZ-UHFFFAOYSA-N
MW388.41 g/mol
LogP4.06
Rot. Bonds4

About 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171910741) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID171910741
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1N1CCCC1)C(c1ccc(F)c(OC)c1F)CC(=O)N2
InChIInChI=1S/C21H22F2N2O3/c1-27-18-11-16-14(9-17(18)25-7-3-4-8-25)13(10-19(26)24-16)12-5-6-15(22)21(28-2)20(12)23/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,24,26)
InChIKeyCSGQZCFMOFKTGZ-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 171910741) is 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1N1CCCC1)C(c1ccc(F)c(OC)c1F)CC(=O)N2.
What is the InChIKey of 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CSGQZCFMOFKTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-27-18-11-16-14(9-17(18)25-7-3-4-8-25)13(10-19(26)24-16)12-5-6-15(22)21(28-2)20(12)23/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,24,26).
What are the key properties of 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 388.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171910741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).