3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one

C19H14ClN3O2 — CID 46484281

IUPAC3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(Cc3coc(-c4cccc(Cl)c4)n3)c(=O)c2c1
InChIInChI=1S/C19H14ClN3O2/c1-12-5-6-17-16(7-12)19(24)23(11-21-17)9-15-10-25-18(22-15)13-3-2-4-14(20)8-13/h2-8,10-11H,9H2,1H3
InChIKeyWCTALYNSCQJJBO-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.06
Rot. Bonds3

About 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one

3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one (PubChem CID 46484281) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
PubChem CID46484281
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC Name3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one
SMILESCc1ccc2ncn(Cc3coc(-c4cccc(Cl)c4)n3)c(=O)c2c1
InChIInChI=1S/C19H14ClN3O2/c1-12-5-6-17-16(7-12)19(24)23(11-21-17)9-15-10-25-18(22-15)13-3-2-4-14(20)8-13/h2-8,10-11H,9H2,1H3
InChIKeyWCTALYNSCQJJBO-UHFFFAOYSA-N
XLogP4.06
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 55602752
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39014426
3-ethyl-6-methylquinazolin-4-one
CID 70641598
2-(3-chlorophenyl)-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 43348646
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 39976610
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 43058473
6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17451791

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one?
The IUPAC name of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one (CID 46484281) is 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one is Cc1ccc2ncn(Cc3coc(-c4cccc(Cl)c4)n3)c(=O)c2c1.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one?
The InChIKey is WCTALYNSCQJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-12-5-6-17-16(7-12)19(24)23(11-21-17)9-15-10-25-18(22-15)13-3-2-4-14(20)8-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one?
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one has a molecular weight of 351.79 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-methylquinazolin-4-one is sourced from PubChem (CID 46484281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).