methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate

C18H15FN2O4 — CID 166385921

IUPACmethyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cnc2cc(F)c(OC)cc2c1=O
InChIInChI=1S/C18H15FN2O4/c1-24-16-7-13-15(8-14(16)19)20-10-21(17(13)22)9-11-5-3-4-6-12(11)18(23)25-2/h3-8,10H,9H2,1-2H3
InChIKeyBGYNTTZNRFSIAX-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.38
Rot. Bonds4

About methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate

methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate (PubChem CID 166385921) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate
PubChem CID166385921
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Namemethyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cnc2cc(F)c(OC)cc2c1=O
InChIInChI=1S/C18H15FN2O4/c1-24-16-7-13-15(8-14(16)19)20-10-21(17(13)22)9-11-5-3-4-6-12(11)18(23)25-2/h3-8,10H,9H2,1-2H3
InChIKeyBGYNTTZNRFSIAX-UHFFFAOYSA-N
XLogP2.38
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
CID 59842874
methyl 3-[(6,7-difluoro-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
CID 71995592
7-fluoro-6-methoxy-3-[(3-nitrophenyl)methyl]quinazolin-4-one
CID 166385923
methyl 2-[[5-bromo-4-[(4-fluorophenyl)methoxy]-6-oxopyrimidin-1-yl]methyl]benzoate
CID 21090181
4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 7749360
2-[(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)methyl]benzamide
CID 114585427
methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate
CID 46519363
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783
5-deuterio-3-[(2-methoxyphenyl)methyl]quinazolin-4-one
CID 175898338
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
methyl 5-methyl-4-[(6-methyl-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
CID 49152338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The IUPAC name of methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate (CID 166385921) is methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The canonical SMILES for methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate is COC(=O)c1ccccc1Cn1cnc2cc(F)c(OC)cc2c1=O.
What is the InChIKey of methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
The InChIKey is BGYNTTZNRFSIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-24-16-7-13-15(8-14(16)19)20-10-21(17(13)22)9-11-5-3-4-6-12(11)18(23)25-2/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate?
methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate has a molecular weight of 342.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate is sourced from PubChem (CID 166385921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).