N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride

C27H21ClN4S — CID 44532395

IUPACN-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
SMILESCc1cccc(-c2cc3cc(Nc4ccnc5cc(-c6nccs6)ccc45)ccc3[nH]2)c1.Cl
InChIInChI=1S/C27H20N4S.ClH/c1-17-3-2-4-18(13-17)25-16-20-14-21(6-8-23(20)31-25)30-24-9-10-28-26-15-19(5-7-22(24)26)27-29-11-12-32-27;/h2-16,31H,1H3,(H,28,30);1H
InChIKeyNZQFMBCEOMTSSB-UHFFFAOYSA-N
MW469.01 g/mol
LogP7.98
Rot. Bonds4

About N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride

N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride (PubChem CID 44532395) has the molecular formula C27H21ClN4S and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
PubChem CID44532395
Molecular FormulaC27H21ClN4S
Molecular Weight469.01 g/mol
Exact Mass468.12
IUPAC NameN-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
SMILESCc1cccc(-c2cc3cc(Nc4ccnc5cc(-c6nccs6)ccc45)ccc3[nH]2)c1.Cl
InChIInChI=1S/C27H20N4S.ClH/c1-17-3-2-4-18(13-17)25-16-20-14-21(6-8-23(20)31-25)30-24-9-10-28-26-15-19(5-7-22(24)26)27-29-11-12-32-27;/h2-16,31H,1H3,(H,28,30);1H
InChIKeyNZQFMBCEOMTSSB-UHFFFAOYSA-N
XLogP7.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The IUPAC name of N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride (CID 44532395) is N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride is Cc1cccc(-c2cc3cc(Nc4ccnc5cc(-c6nccs6)ccc45)ccc3[nH]2)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The InChIKey is NZQFMBCEOMTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4S.ClH/c1-17-3-2-4-18(13-17)25-16-20-14-21(6-8-23(20)31-25)30-24-9-10-28-26-15-19(5-7-22(24)26)27-29-11-12-32-27;/h2-16,31H,1H3,(H,28,30);1H.
What are the key properties of N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride has a molecular weight of 469.01 g/mol, XLogP of 7.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44532395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).