methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate

C19H17FN2O3 — CID 12955916

IUPACmethyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2c(=O)n(-c3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C19H17FN2O3/c1-10-9-15-17(16(11(10)2)19(24)25-4)21-12(3)22(18(15)23)14-7-5-13(20)6-8-14/h5-9H,1-4H3
InChIKeyKWVZLRJCFDJZCX-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.24
Rot. Bonds2

About methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate

methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate (PubChem CID 12955916) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate
PubChem CID12955916
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namemethyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate
SMILESCOC(=O)c1c(C)c(C)cc2c(=O)n(-c3ccc(F)cc3)c(C)nc12
InChIInChI=1S/C19H17FN2O3/c1-10-9-15-17(16(11(10)2)19(24)25-4)21-12(3)22(18(15)23)14-7-5-13(20)6-8-14/h5-9H,1-4H3
InChIKeyKWVZLRJCFDJZCX-UHFFFAOYSA-N
XLogP3.24
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate (CID 12955916) is methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate is COC(=O)c1c(C)c(C)cc2c(=O)n(-c3ccc(F)cc3)c(C)nc12.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate?
The InChIKey is KWVZLRJCFDJZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-10-9-15-17(16(11(10)2)19(24)25-4)21-12(3)22(18(15)23)14-7-5-13(20)6-8-14/h5-9H,1-4H3.
What are the key properties of methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate?
methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylate is sourced from PubChem (CID 12955916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).