N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride

C24H23ClN4S — CID 44532397

IUPACN-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
SMILESCC(C)(C)c1cc2cc(Nc3ccnc4cc(-c5nccs5)ccc34)ccc2[nH]1.Cl
InChIInChI=1S/C24H22N4S.ClH/c1-24(2,3)22-14-16-12-17(5-7-19(16)28-22)27-20-8-9-25-21-13-15(4-6-18(20)21)23-26-10-11-29-23;/h4-14,28H,1-3H3,(H,25,27);1H
InChIKeyVYIVPHDUYRBSBB-UHFFFAOYSA-N
MW435.00 g/mol
LogP7.30
Rot. Bonds3

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

N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride (PubChem CID 44532397) has the molecular formula C24H23ClN4S and a molecular weight of 435.00 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
PubChem CID44532397
Molecular FormulaC24H23ClN4S
Molecular Weight435.00 g/mol
Exact Mass434.13
IUPAC NameN-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
SMILESCC(C)(C)c1cc2cc(Nc3ccnc4cc(-c5nccs5)ccc34)ccc2[nH]1.Cl
InChIInChI=1S/C24H22N4S.ClH/c1-24(2,3)22-14-16-12-17(5-7-19(16)28-22)27-20-8-9-25-21-13-15(4-6-18(20)21)23-26-10-11-29-23;/h4-14,28H,1-3H3,(H,25,27);1H
InChIKeyVYIVPHDUYRBSBB-UHFFFAOYSA-N
XLogP7.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.00
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride (CID 44532397) is N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride is CC(C)(C)c1cc2cc(Nc3ccnc4cc(-c5nccs5)ccc34)ccc2[nH]1.Cl.
What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
The InChIKey is VYIVPHDUYRBSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S.ClH/c1-24(2,3)22-14-16-12-17(5-7-19(16)28-22)27-20-8-9-25-21-13-15(4-6-18(20)21)23-26-10-11-29-23;/h4-14,28H,1-3H3,(H,25,27);1H.
What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride?
N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride has a molecular weight of 435.00 g/mol, XLogP of 7.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44532397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).