(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one

C16H19N3OS — CID 35233666

IUPAC(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1
InChIInChI=1S/C16H19N3OS/c1-10(2)8-19-15(14-9-21-11(3)17-14)18-13-7-5-4-6-12(13)16(19)20/h4-7,9-10,15,18H,8H2,1-3H3/t15-/m1/s1
InChIKeyZKCSKMWPWCDLMD-OAHLLOKOSA-N
MW301.42 g/mol
LogP3.67
Rot. Bonds3

About (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one

(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 35233666) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID35233666
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1
InChIInChI=1S/C16H19N3OS/c1-10(2)8-19-15(14-9-21-11(3)17-14)18-13-7-5-4-6-12(13)16(19)20/h4-7,9-10,15,18H,8H2,1-3H3/t15-/m1/s1
InChIKeyZKCSKMWPWCDLMD-OAHLLOKOSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 35233666) is (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one is Cc1nc([C@@H]2Nc3ccccc3C(=O)N2CC(C)C)cs1.
What is the InChIKey of (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ZKCSKMWPWCDLMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-10(2)8-19-15(14-9-21-11(3)17-14)18-13-7-5-4-6-12(13)16(19)20/h4-7,9-10,15,18H,8H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 301.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 35233666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).