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

C19H19N3OS — CID 13301032

IUPAC(8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2
InChIInChI=1S/C19H19N3OS/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZHMYZKAJPBSRTE-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.81
Rot. Bonds3

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

(8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (PubChem CID 13301032) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
PubChem CID13301032
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2
InChIInChI=1S/C19H19N3OS/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyZHMYZKAJPBSRTE-UHFFFAOYSA-N
XLogP3.81
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The IUPAC name of (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (CID 13301032) is (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.
What is the SMILES notation for (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The canonical SMILES for (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCC(C)C2.
What is the InChIKey of (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The InChIKey is ZHMYZKAJPBSRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-8-9-14-16(10-12)22-11-15(20-19(22)21-18(14)24-2)17(23)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
(8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone has a molecular weight of 337.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-5-methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).