N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C26H26F4N4 — CID 142126995

IUPACN-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(Nc1nc(-c2ccccc2C(F)(F)F)nc2c1CCCC2)c1cccc(F)c1NCCC
InChIInChI=1S/C26H26F4N4/c1-3-15-31-23-17(11-8-13-21(23)27)16(2)32-25-19-10-5-7-14-22(19)33-24(34-25)18-9-4-6-12-20(18)26(28,29)30/h4,6,8-9,11-13,31H,2-3,5,7,10,14-15H2,1H3,(H,32,33,34)
InChIKeyYQHVAEYEIZDFNO-UHFFFAOYSA-N
MW470.51 g/mol
LogP7.09
Rot. Bonds7

About N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 142126995) has the molecular formula C26H26F4N4 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID142126995
Molecular FormulaC26H26F4N4
Molecular Weight470.51 g/mol
Exact Mass470.21
IUPAC NameN-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC=C(Nc1nc(-c2ccccc2C(F)(F)F)nc2c1CCCC2)c1cccc(F)c1NCCC
InChIInChI=1S/C26H26F4N4/c1-3-15-31-23-17(11-8-13-21(23)27)16(2)32-25-19-10-5-7-14-22(19)33-24(34-25)18-9-4-6-12-20(18)26(28,29)30/h4,6,8-9,11-13,31H,2-3,5,7,10,14-15H2,1H3,(H,32,33,34)
InChIKeyYQHVAEYEIZDFNO-UHFFFAOYSA-N
XLogP7.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Spautin-1
CID 51037431
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
Importazole
CID 2949965
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N,2-diphenylquinazolin-4-amine
CID 698960
Quinazoline, 2,4-dianilino-
CID 213847
Revaprazan Hydrochloride
CID 204103

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 142126995) is N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is C=C(Nc1nc(-c2ccccc2C(F)(F)F)nc2c1CCCC2)c1cccc(F)c1NCCC.
What is the InChIKey of N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is YQHVAEYEIZDFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N4/c1-3-15-31-23-17(11-8-13-21(23)27)16(2)32-25-19-10-5-7-14-22(19)33-24(34-25)18-9-4-6-12-20(18)26(28,29)30/h4,6,8-9,11-13,31H,2-3,5,7,10,14-15H2,1H3,(H,32,33,34).
What are the key properties of N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 470.51 g/mol, XLogP of 7.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 142126995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).