(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

C18H17N3OS — CID 13301027

IUPAC(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2
InChIInChI=1S/C18H17N3OS/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyNNKRDGLYOIROLV-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.56
Rot. Bonds3

About (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (PubChem CID 13301027) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
PubChem CID13301027
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2
InChIInChI=1S/C18H17N3OS/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyNNKRDGLYOIROLV-UHFFFAOYSA-N
XLogP3.56
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone 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 (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The IUPAC name of (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (CID 13301027) is (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The canonical SMILES for (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2.
What is the InChIKey of (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The InChIKey is NNKRDGLYOIROLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
(5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone has a molecular weight of 323.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).