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

C20H16ClN3OS — CID 38963071

IUPAC6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCCc1ccc(-c2nc(Cn3cnc4ccc(Cl)cc4c3=O)cs2)cc1
InChIInChI=1S/C20H16ClN3OS/c1-2-13-3-5-14(6-4-13)19-23-16(11-26-19)10-24-12-22-18-8-7-15(21)9-17(18)20(24)25/h3-9,11-12H,2,10H2,1H3
InChIKeyZOXGGCLYCCIINM-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.78
Rot. Bonds4

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

6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (PubChem CID 38963071) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
PubChem CID38963071
Molecular FormulaC20H16ClN3OS
Molecular Weight381.89 g/mol
Exact Mass381.07
IUPAC Name6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
SMILESCCc1ccc(-c2nc(Cn3cnc4ccc(Cl)cc4c3=O)cs2)cc1
InChIInChI=1S/C20H16ClN3OS/c1-2-13-3-5-14(6-4-13)19-23-16(11-26-19)10-24-12-22-18-8-7-15(21)9-17(18)20(24)25/h3-9,11-12H,2,10H2,1H3
InChIKeyZOXGGCLYCCIINM-UHFFFAOYSA-N
XLogP4.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
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
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
6-bromo-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]quinazolin-4-one
CID 25307974
3-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
N-[4-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 43058273
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-[4-[(6-chloro-4-oxoquinazolin-3-yl)methyl]phenyl]benzonitrile
CID 24622682

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one (CID 38963071) is 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is CCc1ccc(-c2nc(Cn3cnc4ccc(Cl)cc4c3=O)cs2)cc1.
What is the InChIKey of 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
The InChIKey is ZOXGGCLYCCIINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-2-13-3-5-14(6-4-13)19-23-16(11-26-19)10-24-12-22-18-8-7-15(21)9-17(18)20(24)25/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one?
6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one has a molecular weight of 381.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 38963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).