N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide

C25H18ClF3N4O3 — CID 140554139

IUPACN-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4Cl)c3)ccnc12
InChIInChI=1S/C25H18ClF3N4O3/c1-14(34)31-21-7-3-6-18-22(10-11-30-23(18)21)36-17-5-2-4-16(13-17)32-24(35)33-20-9-8-15(12-19(20)26)25(27,28)29/h2-13H,1H3,(H,31,34)(H2,32,33,35)
InChIKeyDHCCYSMSWUVIEZ-UHFFFAOYSA-N
MW514.89 g/mol
LogP7.30
Rot. Bonds5

About N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide

N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide (PubChem CID 140554139) has the molecular formula C25H18ClF3N4O3 and a molecular weight of 514.89 g/mol. Its IUPAC name is N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide
PubChem CID140554139
Molecular FormulaC25H18ClF3N4O3
Molecular Weight514.89 g/mol
Exact Mass514.10
IUPAC NameN-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4Cl)c3)ccnc12
InChIInChI=1S/C25H18ClF3N4O3/c1-14(34)31-21-7-3-6-18-22(10-11-30-23(18)21)36-17-5-2-4-16(13-17)32-24(35)33-20-9-8-15(12-19(20)26)25(27,28)29/h2-13H,1H3,(H,31,34)(H2,32,33,35)
InChIKeyDHCCYSMSWUVIEZ-UHFFFAOYSA-N
XLogP7.30
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.89
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide 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

N-[4-(8-acetamidoquinolin-4-yl)oxy-3-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89404279
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58087547
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxyphenyl]urea
CID 24850090
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58086441
[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl] acetate
CID 108865068
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
1-(3-methoxyphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]urea
CID 2814321
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide?
The IUPAC name of N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide (CID 140554139) is N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide.
What is the SMILES notation for N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide?
The canonical SMILES for N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide is CC(=O)Nc1cccc2c(Oc3cccc(NC(=O)Nc4ccc(C(F)(F)F)cc4Cl)c3)ccnc12.
What is the InChIKey of N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide?
The InChIKey is DHCCYSMSWUVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O3/c1-14(34)31-21-7-3-6-18-22(10-11-30-23(18)21)36-17-5-2-4-16(13-17)32-24(35)33-20-9-8-15(12-19(20)26)25(27,28)29/h2-13H,1H3,(H,31,34)(H2,32,33,35).
What are the key properties of N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide?
N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide has a molecular weight of 514.89 g/mol, XLogP of 7.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]quinolin-8-yl]acetamide is sourced from PubChem (CID 140554139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).