benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C18H16N2O3 — CID 27938253

IUPACbenzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCc3ccccc3)cnc12
InChIInChI=1S/C18H16N2O3/c1-13-6-5-9-15-17(13)19-12-20(18(15)22)10-16(21)23-11-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyKAWODDYWOMAGLM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.45
Rot. Bonds4

About benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 27938253) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID27938253
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namebenzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCc1cccc2c(=O)n(CC(=O)OCc3ccccc3)cnc12
InChIInChI=1S/C18H16N2O3/c1-13-6-5-9-15-17(13)19-12-20(18(15)22)10-16(21)23-11-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3
InChIKeyKAWODDYWOMAGLM-UHFFFAOYSA-N
XLogP2.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649178
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46648710
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939323
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938787
(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 34106710
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 24529030

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 27938253) is benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is Cc1cccc2c(=O)n(CC(=O)OCc3ccccc3)cnc12.
What is the InChIKey of benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is KAWODDYWOMAGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-13-6-5-9-15-17(13)19-12-20(18(15)22)10-16(21)23-11-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3.
What are the key properties of benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 308.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 27938253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).