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

C15H16ClN3OS — CID 154700566

IUPAC6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESCC(C)C1NC(Cn2cnc3ccc(Cl)cc3c2=O)=CS1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyZXMPGCMASPZREE-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.21
Rot. Bonds3

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

6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one (PubChem CID 154700566) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
PubChem CID154700566
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
SMILESCC(C)C1NC(Cn2cnc3ccc(Cl)cc3c2=O)=CS1
InChIInChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3
InChIKeyZXMPGCMASPZREE-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one with MolForge

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Related Compounds

6-Chloroquinazolin-4(3H)-one
CID 135402273
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2434718
2-[[2-[4-(4-Chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-ethyl-4-quinazolinone
CID 980267
N-(2-(2-((cyanomethyl)thio)-4-oxoquinazolin-3(4H)-yl)ethyl)acetamide
CID 3243886
3-(4-chlorophenyl)-2-{[2-(dimethylamino)propyl]sulfanyl}quinazolin-4(3H)-one
CID 3950432
4-[(2-{[(3-Chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-YL)methyl]-N-cyclopropylbenzamide
CID 4117861
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 5152413
2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18079108
N-[(4-chlorophenyl)methyl]-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135415845
2-[(3-chlorobenzyl)thio]-4(3H)-quinazolinone
CID 135441424
N-(3-methylbutyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135444241
N-butyl-2-[(3-cyclopentyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetamide
CID 3245927

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one (CID 154700566) is 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one is CC(C)C1NC(Cn2cnc3ccc(Cl)cc3c2=O)=CS1.
What is the InChIKey of 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
The InChIKey is ZXMPGCMASPZREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3.
What are the key properties of 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one?
6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one has a molecular weight of 321.83 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 154700566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).