6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine

C23H14ClF3N4 — CID 3529883

IUPAC6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc34)nc3ccc(Cl)cn23)c1
InChIInChI=1S/C23H14ClF3N4/c24-16-9-10-19-30-21(18-8-1-4-14-5-3-11-28-20(14)18)22(31(19)13-16)29-17-7-2-6-15(12-17)23(25,26)27/h1-13,29H
InChIKeyQRZKNVYCVOFQPM-UHFFFAOYSA-N
MW438.84 g/mol
LogP6.97
Rot. Bonds3

About 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine

6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 3529883) has the molecular formula C23H14ClF3N4 and a molecular weight of 438.84 g/mol. Its IUPAC name is 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID3529883
Molecular FormulaC23H14ClF3N4
Molecular Weight438.84 g/mol
Exact Mass438.09
IUPAC Name6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc34)nc3ccc(Cl)cn23)c1
InChIInChI=1S/C23H14ClF3N4/c24-16-9-10-19-30-21(18-8-1-4-14-5-3-11-28-20(14)18)22(31(19)13-16)29-17-7-2-6-15(12-17)23(25,26)27/h1-13,29H
InChIKeyQRZKNVYCVOFQPM-UHFFFAOYSA-N
XLogP6.97
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine (CID 3529883) is 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine is FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc34)nc3ccc(Cl)cn23)c1.
What is the InChIKey of 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QRZKNVYCVOFQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N4/c24-16-9-10-19-30-21(18-8-1-4-14-5-3-11-28-20(14)18)22(31(19)13-16)29-17-7-2-6-15(12-17)23(25,26)27/h1-13,29H.
What are the key properties of 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 438.84 g/mol, XLogP of 6.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-quinolin-8-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3529883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).