1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C23H20F3N3O2 — CID 11575502

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCc2ccccc21
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30)
InChIKeyBLHBKMAJQLLUEL-UHFFFAOYSA-N
MW427.43 g/mol
LogP6.31
Rot. Bonds4

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 11575502) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID11575502
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCc2ccccc21
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30)
InChIKeyBLHBKMAJQLLUEL-UHFFFAOYSA-N
XLogP6.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]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

4-Phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 10188853
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
Afacifenacin
CID 42647276
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-[2-Morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2810759
N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 2978904
N-(4-methoxyphenyl)-2,2,4-trimethylquinoline-1(2H)-carboxamide
CID 744397
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-N'-(4-methoxyphenyl)urea
CID 1248570
1-[4-[(4-Ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea
CID 5307861
N-(4-ethylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430380
4-benzyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 3421492

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 11575502) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is BLHBKMAJQLLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30).
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 427.43 g/mol, XLogP of 6.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 11575502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).