1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

C17H14F3N3O2 — CID 99585344

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)NCc3cc(F)ccc3F)c(F)cc2N1
InChIInChI=1S/C17H14F3N3O2/c18-11-2-3-12(19)10(5-11)8-21-17(25)23-15-6-9-1-4-16(24)22-14(9)7-13(15)20/h2-3,5-7H,1,4,8H2,(H,22,24)(H2,21,23,25)
InChIKeyWTMNVDWAIKIEHB-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.31
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (PubChem CID 99585344) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
PubChem CID99585344
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)NCc3cc(F)ccc3F)c(F)cc2N1
InChIInChI=1S/C17H14F3N3O2/c18-11-2-3-12(19)10(5-11)8-21-17(25)23-15-6-9-1-4-16(24)22-14(9)7-13(15)20/h2-3,5-7H,1,4,8H2,(H,22,24)(H2,21,23,25)
InChIKeyWTMNVDWAIKIEHB-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea 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-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 119034406
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674429
(Z)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-methylbut-2-enamide
CID 86801882
2-amino-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide;hydrochloride
CID 119293005
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 3714808
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
CID 91649819
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[(2R)-1-piperidin-1-ylpropan-2-yl]urea
CID 99585473

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (CID 99585344) is 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is O=C1CCc2cc(NC(=O)NCc3cc(F)ccc3F)c(F)cc2N1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The InChIKey is WTMNVDWAIKIEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-11-2-3-12(19)10(5-11)8-21-17(25)23-15-6-9-1-4-16(24)22-14(9)7-13(15)20/h2-3,5-7H,1,4,8H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea has a molecular weight of 349.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is sourced from PubChem (CID 99585344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).