(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate

C25H16F6N4O3 — CID 87303226

IUPAC(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3c2)n1
InChIInChI=1S/C25H16F6N4O3/c26-24(27,28)14-2-4-15(5-3-14)34-18-9-10-33-20-11-13(1-6-16(18)20)22-17(25(29,30)31)7-8-19(35-22)23(37)38-12-21(32)36/h1-11H,12H2,(H2,32,36)(H,33,34)
InChIKeyYGZYEPPTFDDMQP-UHFFFAOYSA-N
MW534.42 g/mol
LogP5.72
Rot. Bonds6

About (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate

(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate (PubChem CID 87303226) has the molecular formula C25H16F6N4O3 and a molecular weight of 534.42 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate
PubChem CID87303226
Molecular FormulaC25H16F6N4O3
Molecular Weight534.42 g/mol
Exact Mass534.11
IUPAC Name(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate
SMILESNC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3c2)n1
InChIInChI=1S/C25H16F6N4O3/c26-24(27,28)14-2-4-15(5-3-14)34-18-9-10-33-20-11-13(1-6-16(18)20)22-17(25(29,30)31)7-8-19(35-22)23(37)38-12-21(32)36/h1-11H,12H2,(H2,32,36)(H,33,34)
InChIKeyYGZYEPPTFDDMQP-UHFFFAOYSA-N
XLogP5.72
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.42
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate 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-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
5-(trifluoromethyl)-6-[5-[4-(trifluoromethyl)anilino]-1,8-naphthyridin-2-yl]pyridine-3-carboxylic acid
CID 58645766
[1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethylideneamino]thiourea
CID 91382598
2-[[6-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 141322057
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537006
N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine
CID 59705101
2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 175308750
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate (CID 87303226) is (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate is NC(=O)COC(=O)c1ccc(C(F)(F)F)c(-c2ccc3c(Nc4ccc(C(F)(F)F)cc4)ccnc3c2)n1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate?
The InChIKey is YGZYEPPTFDDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N4O3/c26-24(27,28)14-2-4-15(5-3-14)34-18-9-10-33-20-11-13(1-6-16(18)20)22-17(25(29,30)31)7-8-19(35-22)23(37)38-12-21(32)36/h1-11H,12H2,(H2,32,36)(H,33,34).
What are the key properties of (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate?
(2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate has a molecular weight of 534.42 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-(trifluoromethyl)-6-[4-[4-(trifluoromethyl)anilino]quinolin-7-yl]pyridine-2-carboxylate is sourced from PubChem (CID 87303226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).