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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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).