7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one

C18H17FN2O3 — CID 151258069

IUPAC7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one
SMILESCOCCc1nc2cc(OCc3ccc(F)cc3)ccc2c(=O)[nH]1
InChIInChI=1S/C18H17FN2O3/c1-23-9-8-17-20-16-10-14(6-7-15(16)18(22)21-17)24-11-12-2-4-13(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyNTTOFLPRFNAFDO-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.83
Rot. Bonds6

About 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one

7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one (PubChem CID 151258069) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one
PubChem CID151258069
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one
SMILESCOCCc1nc2cc(OCc3ccc(F)cc3)ccc2c(=O)[nH]1
InChIInChI=1S/C18H17FN2O3/c1-23-9-8-17-20-16-10-14(6-7-15(16)18(22)21-17)24-11-12-2-4-13(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,21,22)
InChIKeyNTTOFLPRFNAFDO-UHFFFAOYSA-N
XLogP2.83
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one 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

2-(4-Methoxyphenyl)quinazolin-4-ol
CID 135430309
2-(4-Methoxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135407310
7-(Cyclopropylmethoxy)-5-fluoro-2-(((trans-4-hydroxycyclohexyl)thio)methyl)quinazolin-4(1H)-one
CID 138696916
2-(4-ethoxyphenyl)-3H-quinazolin-4-one
CID 135567247
4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-methoxy-3-methylquinazolin-4(3H)-one
CID 11567952
3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)quinazolin-4(3H)-one
CID 11581337
3-Isopropyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11668594
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687
7-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 23151248

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one (CID 151258069) is 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one is COCCc1nc2cc(OCc3ccc(F)cc3)ccc2c(=O)[nH]1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one?
The InChIKey is NTTOFLPRFNAFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-23-9-8-17-20-16-10-14(6-7-15(16)18(22)21-17)24-11-12-2-4-13(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,21,22).
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one?
7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one has a molecular weight of 328.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-2-(2-methoxyethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 151258069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).