7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

C16H11BrN4OS — CID 10407860

IUPAC7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(Br)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H11BrN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
InChIKeyPDAAWAZSKXRPAS-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.52
Rot. Bonds2

About 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one

7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (PubChem CID 10407860) has the molecular formula C16H11BrN4OS and a molecular weight of 387.26 g/mol. Its IUPAC name is 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
PubChem CID10407860
Molecular FormulaC16H11BrN4OS
Molecular Weight387.26 g/mol
Exact Mass385.98
IUPAC Name7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2cc(Br)ccc2CN1c1csc(-c2ccncc2)n1
InChIInChI=1S/C16H11BrN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
InChIKeyPDAAWAZSKXRPAS-UHFFFAOYSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one (CID 10407860) is 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is O=C1Nc2cc(Br)ccc2CN1c1csc(-c2ccncc2)n1.
What is the InChIKey of 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
The InChIKey is PDAAWAZSKXRPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22).
What are the key properties of 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one?
7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one has a molecular weight of 387.26 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 10407860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).