(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

C20H15N3O3S — CID 135723687

IUPAC(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C20H15N3O3S/c1-12-21-17(13-7-3-2-4-8-13)18(27-12)20(25)26-11-16-22-15-10-6-5-9-14(15)19(24)23-16/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyYQZABVDSJCWPKG-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.71
Rot. Bonds4

About (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 135723687) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID135723687
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccccc2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C20H15N3O3S/c1-12-21-17(13-7-3-2-4-8-13)18(27-12)20(25)26-11-16-22-15-10-6-5-9-14(15)19(24)23-16/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyYQZABVDSJCWPKG-UHFFFAOYSA-N
XLogP3.71
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxo-3H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135815721
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
(4-oxo-3H-quinazolin-2-yl)methyl 4-tert-butylbenzoate
CID 135734936
(4-oxo-3H-quinazolin-2-yl)methyl 4-chlorobenzoate
CID 135734942
(4-oxo-3H-quinazolin-2-yl)methyl 4-bromobenzoate
CID 135734946
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 9478731
(4-oxo-3H-quinazolin-2-yl)methyl 2-ethoxybenzoate
CID 135734893
2-[(2-amino-2-methylpropoxy)methyl]-3H-quinazolin-4-one
CID 136767041
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
(4-oxo-3H-quinazolin-2-yl)methyl 3-fluorobenzoate
CID 135734891
[2-(2-chlorophenyl)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617882

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate (CID 135723687) is (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccc2)c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is YQZABVDSJCWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-21-17(13-7-3-2-4-8-13)18(27-12)20(25)26-11-16-22-15-10-6-5-9-14(15)19(24)23-16/h2-10H,11H2,1H3,(H,22,23,24).
What are the key properties of (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate?
(4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 377.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-3H-quinazolin-2-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135723687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).