methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate

C18H16N2O3 — CID 23738534

IUPACmethyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H16N2O3/c1-20-16(19-15-10-6-5-9-14(15)17(20)21)11-12-7-3-4-8-13(12)18(22)23-2/h3-10H,11H2,1-2H3
InChIKeyKDNCUALJWWOGTF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.31
Rot. Bonds3

About methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate

methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate (PubChem CID 23738534) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
PubChem CID23738534
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cc1nc2ccccc2c(=O)n1C
InChIInChI=1S/C18H16N2O3/c1-20-16(19-15-10-6-5-9-14(15)17(20)21)11-12-7-3-4-8-13(12)18(22)23-2/h3-10H,11H2,1-2H3
InChIKeyKDNCUALJWWOGTF-UHFFFAOYSA-N
XLogP2.31
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008
methyl 2-[2-(bromomethyl)-4-oxoquinazolin-3-yl]benzoate
CID 11349298
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]acetic acid
CID 61394536
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
ethyl 2-[(1-methyl-4-oxoquinazolin-2-yl)methyl]benzoate
CID 23826495
3-methoxy-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 110712281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate (CID 23738534) is methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate is COC(=O)c1ccccc1Cc1nc2ccccc2c(=O)n1C.
What is the InChIKey of methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
The InChIKey is KDNCUALJWWOGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-16(19-15-10-6-5-9-14(15)17(20)21)11-12-7-3-4-8-13(12)18(22)23-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate?
methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate has a molecular weight of 308.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzoate is sourced from PubChem (CID 23738534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).