6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

C16H10ClN3O2S — CID 32867112

IUPAC6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C16H10ClN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h1-6,8-9H,7H2
InChIKeyHXAFEBHSOFJVNI-UHFFFAOYSA-N
MW343.80 g/mol
LogP3.81
Rot. Bonds3

About 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one

6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 32867112) has the molecular formula C16H10ClN3O2S and a molecular weight of 343.80 g/mol. Its IUPAC name is 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID32867112
Molecular FormulaC16H10ClN3O2S
Molecular Weight343.80 g/mol
Exact Mass343.02
IUPAC Name6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C16H10ClN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h1-6,8-9H,7H2
InChIKeyHXAFEBHSOFJVNI-UHFFFAOYSA-N
XLogP3.81
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 32740125
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 38963071
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
7-chloro-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 24578370
3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 9287059
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
CID 38873237
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 17483318
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513648
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-chloroquinazolin-4-one
CID 8005582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 32867112) is 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1csc(-c2ccco2)n1.
What is the InChIKey of 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is HXAFEBHSOFJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2S/c17-10-3-4-13-12(6-10)16(21)20(9-18-13)7-11-8-23-15(19-11)14-2-1-5-22-14/h1-6,8-9H,7H2.
What are the key properties of 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 343.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 32867112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).