5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine

C19H20FN3O2 — CID 55854206

IUPAC5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
SMILESCCCOc1ccc(CNc2ncnc3cccc(F)c23)cc1OC
InChIInChI=1S/C19H20FN3O2/c1-3-9-25-16-8-7-13(10-17(16)24-2)11-21-19-18-14(20)5-4-6-15(18)22-12-23-19/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,23)
InChIKeyHYUCKYHLXAMPMC-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.18
Rot. Bonds7

About 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine

5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 55854206) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
PubChem CID55854206
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine
SMILESCCCOc1ccc(CNc2ncnc3cccc(F)c23)cc1OC
InChIInChI=1S/C19H20FN3O2/c1-3-9-25-16-8-7-13(10-17(16)24-2)11-21-19-18-14(20)5-4-6-15(18)22-12-23-19/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,23)
InChIKeyHYUCKYHLXAMPMC-UHFFFAOYSA-N
XLogP4.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine 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

N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 36835195
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]quinazolin-4-amine
CID 36832499
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-fluoroaniline
CID 39430215
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
3-chloro-2-hydroxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzenesulfonamide
CID 167951708
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
1-[(3-fluorophenyl)methyl]-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 111876615
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine (CID 55854206) is 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine is CCCOc1ccc(CNc2ncnc3cccc(F)c23)cc1OC.
What is the InChIKey of 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is HYUCKYHLXAMPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-3-9-25-16-8-7-13(10-17(16)24-2)11-21-19-18-14(20)5-4-6-15(18)22-12-23-19/h4-8,10,12H,3,9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine?
5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 341.39 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methoxy-4-propoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 55854206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).