5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C17H14N4O2S — CID 10359768

IUPAC5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCOc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H14N4O2S/c1-23-14-4-2-3-13-12(14)9-21(17(22)19-13)15-10-24-16(20-15)11-5-7-18-8-6-11/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyZSAQGXDSTQPMRV-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.77
Rot. Bonds3

About 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10359768) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10359768
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESCOc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2
InChIInChI=1S/C17H14N4O2S/c1-23-14-4-2-3-13-12(14)9-21(17(22)19-13)15-10-24-16(20-15)11-5-7-18-8-6-11/h2-8,10H,9H2,1H3,(H,19,22)
InChIKeyZSAQGXDSTQPMRV-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 10359768) is 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is COc1cccc2c1CN(c1csc(-c3ccncc3)n1)C(=O)N2.
What is the InChIKey of 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is ZSAQGXDSTQPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-23-14-4-2-3-13-12(14)9-21(17(22)19-13)15-10-24-16(20-15)11-5-7-18-8-6-11/h2-8,10H,9H2,1H3,(H,19,22).
What are the key properties of 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 338.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10359768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).