N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine

C26H24ClF3N4 — CID 142126587

IUPACN-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(c2ccccc2C(F)(F)F)Nc2ccccc21)c1ccc(Cl)cc1NCCC
InChIInChI=1S/C26H24ClF3N4/c1-3-14-31-23-15-17(27)12-13-18(23)16(2)32-25-20-9-5-7-11-22(20)33-24(34-25)19-8-4-6-10-21(19)26(28,29)30/h4-13,15,24,31,33H,2-3,14H2,1H3,(H,32,34)
InChIKeyPLTAMPTUOFUTKO-UHFFFAOYSA-N
MW484.95 g/mol
LogP7.31
Rot. Bonds6

About N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine

N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine (PubChem CID 142126587) has the molecular formula C26H24ClF3N4 and a molecular weight of 484.95 g/mol. Its IUPAC name is N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
PubChem CID142126587
Molecular FormulaC26H24ClF3N4
Molecular Weight484.95 g/mol
Exact Mass484.16
IUPAC NameN-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(c2ccccc2C(F)(F)F)Nc2ccccc21)c1ccc(Cl)cc1NCCC
InChIInChI=1S/C26H24ClF3N4/c1-3-14-31-23-15-17(27)12-13-18(23)16(2)32-25-20-9-5-7-11-22(20)33-24(34-25)19-8-4-6-10-21(19)26(28,29)30/h4-13,15,24,31,33H,2-3,14H2,1H3,(H,32,34)
InChIKeyPLTAMPTUOFUTKO-UHFFFAOYSA-N
XLogP7.31
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine with MolForge

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Related Compounds

7-chloro-4((2,2-difluoroethyl)amino)-1-phenyl-quinazolin-2 (1H)-one
CID 151690232
7-chloro-1-(3-(difluoromethyl)phenyl)-4-(methylamino)-3,4-dihydroquinazolin-2(1H)-one
CID 153608210
7-Chloro-4-(methylamino)-1-[3-(trifluoromethyl)phenyl]hydroquina-zolin-2-one
CID 153608240
4-[(2,2-Difluoroethyl)methylamino]-7-chloro-1-phenylhydroquinazolin-2-one
CID 153608470
7-Chloro-4-[methyl(2,2,2-trifluoroethyl)-amino]-1-phenylhydroquinazolin-2-one
CID 153608836
4-(benzylamino)-7-chloro-1-phenyl-quinazolin-2(1H)-one
CID 147655114
7-Chloro-4-[methylbenzylamino]-1-phenylhydroquinazolin-2-one
CID 153609063
US11845723, Example 574
CID 165380634
4-[benzyl(methyl)amino]-7-chloro-1H-quinazolin-2-one
CID 166628474
7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one
CID 166634689
7-chloro-4-((2-(dimethylamino)ethyl)-amino)-1-phenylquinazolin-2(1H)-one
CID 147332495
9-Chloro-6-(4-ethylphenyl)-2H,3H,4H,6H,7H-pyrimido[1,2-C]quinazoline
CID 6493353

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The IUPAC name of N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine (CID 142126587) is N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine is C=C(NC1=NC(c2ccccc2C(F)(F)F)Nc2ccccc21)c1ccc(Cl)cc1NCCC.
What is the InChIKey of N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
The InChIKey is PLTAMPTUOFUTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N4/c1-3-14-31-23-15-17(27)12-13-18(23)16(2)32-25-20-9-5-7-11-22(20)33-24(34-25)19-8-4-6-10-21(19)26(28,29)30/h4-13,15,24,31,33H,2-3,14H2,1H3,(H,32,34).
What are the key properties of N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine?
N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine has a molecular weight of 484.95 g/mol, XLogP of 7.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-chloro-2-(propylamino)phenyl]ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 142126587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).