ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate

C14H16N2O3 — CID 170904363

IUPACethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c(C)nc2cc1C
InChIInChI=1S/C14H16N2O3/c1-5-19-14(18)10-7-11-12(6-8(10)2)15-9(3)16(4)13(11)17/h6-7H,5H2,1-4H3
InChIKeyBFOVLFJSRQLCRK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.73
Rot. Bonds2

About ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate

ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate (PubChem CID 170904363) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
PubChem CID170904363
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c(C)nc2cc1C
InChIInChI=1S/C14H16N2O3/c1-5-19-14(18)10-7-11-12(6-8(10)2)15-9(3)16(4)13(11)17/h6-7H,5H2,1-4H3
InChIKeyBFOVLFJSRQLCRK-UHFFFAOYSA-N
XLogP1.73
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate?
The IUPAC name of ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate (CID 170904363) is ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate.
What is the SMILES notation for ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate?
The canonical SMILES for ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate is CCOC(=O)c1cc2c(=O)n(C)c(C)nc2cc1C.
What is the InChIKey of ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate?
The InChIKey is BFOVLFJSRQLCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-5-19-14(18)10-7-11-12(6-8(10)2)15-9(3)16(4)13(11)17/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate?
ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,7-trimethyl-4-oxoquinazoline-6-carboxylate is sourced from PubChem (CID 170904363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).