methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate

C19H18N2O3 — CID 139035369

IUPACmethyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
SMILESCOC(=O)Cc1nc2cccc(C)c2c(=O)n1-c1ccccc1C
InChIInChI=1S/C19H18N2O3/c1-12-7-4-5-10-15(12)21-16(11-17(22)24-3)20-14-9-6-8-13(2)18(14)19(21)23/h4-10H,11H2,1-3H3
InChIKeyVCEWTGRMBDBYQX-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate

methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate (PubChem CID 139035369) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
PubChem CID139035369
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate
SMILESCOC(=O)Cc1nc2cccc(C)c2c(=O)n1-c1ccccc1C
InChIInChI=1S/C19H18N2O3/c1-12-7-4-5-10-15(12)21-16(11-17(22)24-3)20-14-9-6-8-13(2)18(14)19(21)23/h4-10H,11H2,1-3H3
InChIKeyVCEWTGRMBDBYQX-UHFFFAOYSA-N
XLogP2.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,3,5-triazin-2-yl)sulfanylmethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10221995
5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 142525327
2-[(2-amino-6-chloropurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 10181189
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 129190696
2-[[4-amino-3-[2-(dimethylamino)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 145494611
2-[[4-amino-3-[(dimethylamino)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 70666942
1-(2-amino-6-chlorophenyl)-2-(2-methylphenyl)ethanone;2-chloroacetyl chloride;5-chloro-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4-one
CID 160716140
5-methyl-3-(2-methylphenyl)-2-propylquinazolin-4-one;5-(4-methyl-1,3-oxazol-2-yl)pyrimidine-4,6-diamine
CID 144810797
8-methyl-2-(2-methylphenyl)-1-oxoisoquinoline-3-carboxylic acid
CID 150799179
5-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 91126361
3-(2-chlorophenyl)-5-methyl-2-(7H-purin-8-ylsulfanylmethyl)quinazolin-4-one
CID 126599582
methyl 2-[1-(phenothiazine-10-carbonyl)benzimidazol-2-yl]acetate
CID 171714486

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate (CID 139035369) is methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate is COC(=O)Cc1nc2cccc(C)c2c(=O)n1-c1ccccc1C.
What is the InChIKey of methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate?
The InChIKey is VCEWTGRMBDBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-4-5-10-15(12)21-16(11-17(22)24-3)20-14-9-6-8-13(2)18(14)19(21)23/h4-10H,11H2,1-3H3.
What are the key properties of methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate?
methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]acetate is sourced from PubChem (CID 139035369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).