6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine

C17H16FN3O — CID 78901232

IUPAC6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCCOc3ccccc3)c2c1
InChIInChI=1S/C17H16FN3O/c18-13-7-8-16-15(11-13)17(21-12-20-16)19-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H,19,20,21)
InChIKeyGYHWBLSYLOTUIF-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.65
Rot. Bonds6

About 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine

6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine (PubChem CID 78901232) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
PubChem CID78901232
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCCOc3ccccc3)c2c1
InChIInChI=1S/C17H16FN3O/c18-13-7-8-16-15(11-13)17(21-12-20-16)19-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H,19,20,21)
InChIKeyGYHWBLSYLOTUIF-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665
6-fluoro-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133325400
N-[3-(3-methylphenoxy)propyl]quinazolin-4-amine
CID 12928959
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
6-fluoro-N-(3-imidazol-1-ylpropyl)quinazolin-4-amine
CID 86305832
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine (CID 78901232) is 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine is Fc1ccc2ncnc(NCCCOc3ccccc3)c2c1.
What is the InChIKey of 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine?
The InChIKey is GYHWBLSYLOTUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-13-7-8-16-15(11-13)17(21-12-20-16)19-9-4-10-22-14-5-2-1-3-6-14/h1-3,5-8,11-12H,4,9-10H2,(H,19,20,21).
What are the key properties of 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine?
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine has a molecular weight of 297.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine is sourced from PubChem (CID 78901232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).