7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

C21H14ClF3N4 — CID 58645530

IUPAC7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESCc1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(Cl)c1
InChIInChI=1S/C21H14ClF3N4/c1-12-8-16(22)20(28-10-12)13-2-4-15-17(6-7-26-18(15)9-13)29-19-5-3-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29)
InChIKeyQDYGKDQYFUQQOT-UHFFFAOYSA-N
MW414.82 g/mol
LogP6.42
Rot. Bonds3

About 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine

7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (PubChem CID 58645530) has the molecular formula C21H14ClF3N4 and a molecular weight of 414.82 g/mol. Its IUPAC name is 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
PubChem CID58645530
Molecular FormulaC21H14ClF3N4
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
SMILESCc1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(Cl)c1
InChIInChI=1S/C21H14ClF3N4/c1-12-8-16(22)20(28-10-12)13-2-4-15-17(6-7-26-18(15)9-13)29-19-5-3-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29)
InChIKeyQDYGKDQYFUQQOT-UHFFFAOYSA-N
XLogP6.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.82
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine 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

7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine
CID 46203537
7-(4-chloro-1,2,5-thiadiazol-3-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
CID 59705056
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
N-[6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-7-(5-methylthiadiazol-4-yl)quinolin-4-amine
CID 59705101
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
6-quinolin-7-yl-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,5-diamine
CID 11280496
5-bromo-N-[2-chloro-4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 55233325
N-(2-quinolin-7-yl-4-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 11748887
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The IUPAC name of 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine (CID 58645530) is 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The canonical SMILES for 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is Cc1cnc(-c2ccc3c(Nc4ccc(C(F)(F)F)cn4)ccnc3c2)c(Cl)c1.
What is the InChIKey of 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
The InChIKey is QDYGKDQYFUQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4/c1-12-8-16(22)20(28-10-12)13-2-4-15-17(6-7-26-18(15)9-13)29-19-5-3-14(11-27-19)21(23,24)25/h2-11H,1H3,(H,26,27,29).
What are the key properties of 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine?
7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine has a molecular weight of 414.82 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-5-methyl-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 58645530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).