3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one

C18H18FN3O2 — CID 10338834

IUPAC3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one
SMILESCc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CCN
InChIInChI=1S/C18H18FN3O2/c1-12-21-17-10-15(24-11-13-3-2-4-14(19)9-13)5-6-16(17)18(23)22(12)8-7-20/h2-6,9-10H,7-8,11,20H2,1H3
InChIKeyBJYAQTLAMLZSOD-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.38
Rot. Bonds5

About 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one

3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one (PubChem CID 10338834) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one
PubChem CID10338834
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one
SMILESCc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CCN
InChIInChI=1S/C18H18FN3O2/c1-12-21-17-10-15(24-11-13-3-2-4-14(19)9-13)5-6-16(17)18(23)22(12)8-7-20/h2-6,9-10H,7-8,11,20H2,1H3
InChIKeyBJYAQTLAMLZSOD-UHFFFAOYSA-N
XLogP2.38
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-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

1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
N-[3-[(3-fluorophenyl)methoxy]phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 167961495
2-[7-[(3-fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
5-[4-[(3-fluorophenyl)methoxy]phenoxy]pentan-1-amine;hydrochloride
CID 139814633
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
3-[(3-fluorophenyl)methoxy]benzo[c]chromen-6-one
CID 1121024
5-[(3-fluorophenyl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
CID 8016654
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507
3-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]-7-fluoro-2-methylquinazolin-4-one
CID 146079219
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 81264877

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one?
The IUPAC name of 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one (CID 10338834) is 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one is Cc1nc2cc(OCc3cccc(F)c3)ccc2c(=O)n1CCN.
What is the InChIKey of 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one?
The InChIKey is BJYAQTLAMLZSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-21-17-10-15(24-11-13-3-2-4-14(19)9-13)5-6-16(17)18(23)22(12)8-7-20/h2-6,9-10H,7-8,11,20H2,1H3.
What are the key properties of 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one?
3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one has a molecular weight of 327.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7-[(3-fluorophenyl)methoxy]-2-methylquinazolin-4-one is sourced from PubChem (CID 10338834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).