2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine

C17H17FN4 — CID 91966173

IUPAC2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H17FN4/c1-2-11-19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,22)
InChIKeyPXQXFGCRWHTVBD-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.33
Rot. Bonds5

About 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine

2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine (PubChem CID 91966173) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
PubChem CID91966173
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
SMILESCCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C17H17FN4/c1-2-11-19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,22)
InChIKeyPXQXFGCRWHTVBD-UHFFFAOYSA-N
XLogP4.33
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
2-N-(4-fluorophenyl)-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963526
N-(4-fluorophenyl)-2-hydrazinylquinazolin-4-amine
CID 80928190
2-N-(4-chlorophenyl)-4-N-[2-(diethylamino)ethyl]quinazoline-2,4-diamine
CID 12703241
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
2-N-(3-fluorophenyl)-4-N-(2-methoxyethyl)quinazoline-2,4-diamine
CID 91964242
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine (CID 91966173) is 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine is CCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine?
The InChIKey is PXQXFGCRWHTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-2-11-19-16-14-5-3-4-6-15(14)21-17(22-16)20-13-9-7-12(18)8-10-13/h3-10H,2,11H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine?
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine has a molecular weight of 296.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 91966173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).