methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate

C13H13ClN2O3 — CID 139769291

IUPACmethyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C13H13ClN2O3/c1-16-11(5-6-12(17)19-2)15-10-7-8(14)3-4-9(10)13(16)18/h3-4,7H,5-6H2,1-2H3
InChIKeyFPJZETWFOPELEU-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.69
Rot. Bonds3

About methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate

methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 139769291) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID139769291
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Namemethyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCOC(=O)CCc1nc2cc(Cl)ccc2c(=O)n1C
InChIInChI=1S/C13H13ClN2O3/c1-16-11(5-6-12(17)19-2)15-10-7-8(14)3-4-9(10)13(16)18/h3-4,7H,5-6H2,1-2H3
InChIKeyFPJZETWFOPELEU-UHFFFAOYSA-N
XLogP1.69
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(diethoxyphosphorylmethyl)-3-methylquinazolin-4-one
CID 139749536
methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
methyl 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2574962
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55424345
2-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)sulfanylacetate
CID 7174444
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933396
7-bromo-2-(2-methoxyethyl)-3-methylquinazolin-4-one
CID 58574265
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 55476478
4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
CID 139721575
pyridin-2-ylmethyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 43021661
3-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-1,1-dimethylurea
CID 4661015
7-chloro-3-methyl-2-[(1R)-1-(2-methylpropylamino)ethyl]quinazolin-4-one
CID 769633

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 139769291) is methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate is COC(=O)CCc1nc2cc(Cl)ccc2c(=O)n1C.
What is the InChIKey of methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is FPJZETWFOPELEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-16-11(5-6-12(17)19-2)15-10-7-8(14)3-4-9(10)13(16)18/h3-4,7H,5-6H2,1-2H3.
What are the key properties of methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate?
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 280.71 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 139769291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).