ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate

C14H15ClN2O3 — CID 170902286

IUPACethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCCOC(=O)CCn1c(Cl)nc2ccc(C)cc2c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-20-12(18)6-7-17-13(19)10-8-9(2)4-5-11(10)16-14(17)15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyARNLOAGYVUHOMK-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.31
Rot. Bonds4

About ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate

ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate (PubChem CID 170902286) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
PubChem CID170902286
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Nameethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
SMILESCCOC(=O)CCn1c(Cl)nc2ccc(C)cc2c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-20-12(18)6-7-17-13(19)10-8-9(2)4-5-11(10)16-14(17)15/h4-5,8H,3,6-7H2,1-2H3
InChIKeyARNLOAGYVUHOMK-UHFFFAOYSA-N
XLogP2.31
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
CID 170904125
ethyl 3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)propanoate
CID 6420649
2-chloro-6-methyl-4-oxoquinazoline-3-carboxylic acid
CID 117264131
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
CID 84799353
2-chloro-7-methyl-3-(2-oxopropyl)quinazolin-4-one
CID 117264191
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
2-chloro-6-hydroxy-3-(2-oxopropyl)quinazolin-4-one
CID 117263866
ethyl 1-[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 55752282

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate?
The IUPAC name of ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate (CID 170902286) is ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate is CCOC(=O)CCn1c(Cl)nc2ccc(C)cc2c1=O.
What is the InChIKey of ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate?
The InChIKey is ARNLOAGYVUHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-20-12(18)6-7-17-13(19)10-8-9(2)4-5-11(10)16-14(17)15/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate?
ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate has a molecular weight of 294.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate is sourced from PubChem (CID 170902286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).