N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine

C23H19FN4O — CID 142929583

IUPACN-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
SMILESC/C(=N\OCc1ccc(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/h2-13,15H,14H2,1H3,(H,25,26,27)/b28-16+
InChIKeyUMYNJKTWUKFZIE-LQKURTRISA-N
MW386.43 g/mol
LogP5.45
Rot. Bonds6

About N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine

N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine (PubChem CID 142929583) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
PubChem CID142929583
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
SMILESC/C(=N\OCc1ccc(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/h2-13,15H,14H2,1H3,(H,25,26,27)/b28-16+
InChIKeyUMYNJKTWUKFZIE-LQKURTRISA-N
XLogP5.45
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 73081577
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
CID 21002622
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-[3-(chloromethyl)phenyl]quinazolin-4-amine
CID 65027326
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
methyl 2-[3-[(6-fluoroquinazolin-4-yl)amino]phenyl]acetate
CID 133443561
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
3-(quinazolin-4-ylamino)-N-[2-[2-[[3-(quinazolin-4-ylamino)benzoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 139015878
N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
CID 67698787
4-anilinoquinazolin-6-ol;ethane
CID 91520479
(E)-3-(3,4-dimethoxyphenyl)-1-[3-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one
CID 127045208

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine (CID 142929583) is N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine is C/C(=N\OCc1ccc(F)cc1)c1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
The InChIKey is UMYNJKTWUKFZIE-LQKURTRISA-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/h2-13,15H,14H2,1H3,(H,25,26,27)/b28-16+.
What are the key properties of N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine?
N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine has a molecular weight of 386.43 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 142929583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).