6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine

C23H18FN3O — CID 53482249

IUPAC6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2ccc(Nc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C23H18FN3O/c1-28-20-11-6-17(7-12-20)3-2-16-4-9-19(10-5-16)27-23-21-14-18(24)8-13-22(21)25-15-26-23/h2-15H,1H3,(H,25,26,27)/b3-2+
InChIKeyMPNJKBZXARYGGC-NSCUHMNNSA-N
MW371.42 g/mol
LogP5.69
Rot. Bonds5

About 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine

6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine (PubChem CID 53482249) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine
PubChem CID53482249
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine
SMILESCOc1ccc(/C=C/c2ccc(Nc3ncnc4ccc(F)cc34)cc2)cc1
InChIInChI=1S/C23H18FN3O/c1-28-20-11-6-17(7-12-20)3-2-16-4-9-19(10-5-16)27-23-21-14-18(24)8-13-22(21)25-15-26-23/h2-15H,1H3,(H,25,26,27)/b3-2+
InChIKeyMPNJKBZXARYGGC-NSCUHMNNSA-N
XLogP5.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.42
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Verubulin
CID 11414799
Evp4593
CID 509554
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Src Kinase Inhibitor I
CID 1474853
6,7-dimethoxy-N-(3-(trifluoromethyl)phenyl)quinazolin-4-amine
CID 5328202
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol
CID 5329010
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine (CID 53482249) is 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine is COc1ccc(/C=C/c2ccc(Nc3ncnc4ccc(F)cc34)cc2)cc1.
What is the InChIKey of 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine?
The InChIKey is MPNJKBZXARYGGC-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-28-20-11-6-17(7-12-20)3-2-16-4-9-19(10-5-16)27-23-21-14-18(24)8-13-22(21)25-15-26-23/h2-15H,1H3,(H,25,26,27)/b3-2+.
What are the key properties of 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine?
6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine has a molecular weight of 371.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 53482249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).