N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine

C23H19FN4O — CID 91266938

IUPACN-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine
SMILESC=C(NOCc1ccc(F)cc1)c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C23H19FN4O/c1-16(28-29-14-17-9-11-19(24)12-10-17)18-5-4-6-20(13-18)27-23-21-7-2-3-8-22(21)25-15-26-23/h2-13,15,28H,1,14H2,(H,25,26,27)
InChIKeyCCZCVNTUDKTLQA-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.20
Rot. Bonds7

About N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine

N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine (PubChem CID 91266938) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine
PubChem CID91266938
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine
SMILESC=C(NOCc1ccc(F)cc1)c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C23H19FN4O/c1-16(28-29-14-17-9-11-19(24)12-10-17)18-5-4-6-20(13-18)27-23-21-7-2-3-8-22(21)25-15-26-23/h2-13,15,28H,1,14H2,(H,25,26,27)
InChIKeyCCZCVNTUDKTLQA-UHFFFAOYSA-N
XLogP5.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)quinazolin-4-amine
CID 735124
3-[4-(3-Fluoroanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 57339807
N-[3-(trifluoromethyl)phenyl]-4-quinazolinamine
CID 651672
6-fluoro-N-m-tolylquinazolin-4-amine
CID 21847810
N*2*-(4-Fluoro-2-methyl-phenyl)-N*4*-methyl-N*4*-phenyl-quinazoline-2,4-diamine
CID 10247817
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747280
(3-((2-(Pyridin-3-yl)quinazolin-4-yl)amino)phenyl)methanol
CID 9109771
N*4*-(4-Fluoro-phenyl)-N*4*-methyl-N*2*-o-tolyl-quinazoline-2,4-diamine
CID 10316343
(3-{[2-(Pyridin-4-yl)quinazolin-4-yl]amino}phenyl)methanol
CID 24626581
(2R)-2-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 44333735
1-[3-({4-[(2-Hydroxyethyl)amino]-2-quinazolinyl}amino)phenyl]ethanol
CID 50945521
US10167270, Example 140
CID 124168213

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine (CID 91266938) is N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine is C=C(NOCc1ccc(F)cc1)c1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine?
The InChIKey is CCZCVNTUDKTLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-16(28-29-14-17-9-11-19(24)12-10-17)18-5-4-6-20(13-18)27-23-21-7-2-3-8-22(21)25-15-26-23/h2-13,15,28H,1,14H2,(H,25,26,27).
What are the key properties of N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine?
N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 91266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).