1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one

C29H28FN3O5 — CID 143025919

IUPAC1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one
SMILESCOc1cc2nccc(OC3=CCC(C)(N4CCN(C(=O)Cc5ccccc5)C4=O)C=C3F)c2cc1OC
InChIInChI=1S/C29H28FN3O5/c1-29(33-14-13-32(28(33)35)27(34)15-19-7-5-4-6-8-19)11-9-24(21(30)18-29)38-23-10-12-31-22-17-26(37-3)25(36-2)16-20(22)23/h4-10,12,16-18H,11,13-15H2,1-3H3
InChIKeyPQQVCTPFSZXCSA-UHFFFAOYSA-N
MW517.56 g/mol
LogP5.04
Rot. Bonds7

About 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one

1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one (PubChem CID 143025919) has the molecular formula C29H28FN3O5 and a molecular weight of 517.56 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one
PubChem CID143025919
Molecular FormulaC29H28FN3O5
Molecular Weight517.56 g/mol
Exact Mass517.20
IUPAC Name1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one
SMILESCOc1cc2nccc(OC3=CCC(C)(N4CCN(C(=O)Cc5ccccc5)C4=O)C=C3F)c2cc1OC
InChIInChI=1S/C29H28FN3O5/c1-29(33-14-13-32(28(33)35)27(34)15-19-7-5-4-6-8-19)11-9-24(21(30)18-29)38-23-10-12-31-22-17-26(37-3)25(36-2)16-20(22)23/h4-10,12,16-18H,11,13-15H2,1-3H3
InChIKeyPQQVCTPFSZXCSA-UHFFFAOYSA-N
XLogP5.04
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-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

Related Compounds

1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-5-[(dimethylamino)methyl]-3-phenyl-1,3-diazinan-2-one
CID 58268739
N'-benzylsulfonyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-phenylethanimidamide
CID 162674405
4-(7-fluorocyclohepta-1,4,6-trien-1-yl)oxy-6,7-dimethoxyquinoline
CID 134566459
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
1-[5-(6,7-dimethoxyquinolin-4-yl)oxyindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 58272935
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-2-phenylacetamide
CID 59813522
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
CID 45483444
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-5-fluoro-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 11397684
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide
CID 11443521
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-oxo-4-phenylbutanamide
CID 59791949

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one?
The IUPAC name of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one (CID 143025919) is 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one is COc1cc2nccc(OC3=CCC(C)(N4CCN(C(=O)Cc5ccccc5)C4=O)C=C3F)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one?
The InChIKey is PQQVCTPFSZXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O5/c1-29(33-14-13-32(28(33)35)27(34)15-19-7-5-4-6-8-19)11-9-24(21(30)18-29)38-23-10-12-31-22-17-26(37-3)25(36-2)16-20(22)23/h4-10,12,16-18H,11,13-15H2,1-3H3.
What are the key properties of 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one?
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one has a molecular weight of 517.56 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-1-methylcyclohexa-2,4-dien-1-yl]-3-(2-phenylacetyl)imidazolidin-2-one is sourced from PubChem (CID 143025919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).