7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

C17H16N4S — CID 71579330

IUPAC7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCc1ncc(-c2ccc3c(NC(C)C)c(C#N)cnc3c2)s1
InChIInChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21)
InChIKeyLIDRYPOUXPJLGX-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.36
Rot. Bonds3

About 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (PubChem CID 71579330) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
PubChem CID71579330
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCc1ncc(-c2ccc3c(NC(C)C)c(C#N)cnc3c2)s1
InChIInChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21)
InChIKeyLIDRYPOUXPJLGX-UHFFFAOYSA-N
XLogP4.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile 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 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (CID 71579330) is 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is Cc1ncc(-c2ccc3c(NC(C)C)c(C#N)cnc3c2)s1.
What is the InChIKey of 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is LIDRYPOUXPJLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-10(2)21-17-13(7-18)8-20-15-6-12(4-5-14(15)17)16-9-19-11(3)22-16/h4-6,8-10H,1-3H3,(H,20,21).
What are the key properties of 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 308.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 71579330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).