6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine

C24H19F4N7 — CID 142126849

IUPAC6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
SMILESNCCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1
InChIInChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35)
InChIKeyCURKEQKGPDWWCE-UHFFFAOYSA-N
MW481.46 g/mol
LogP5.45
Rot. Bonds6

About 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine

6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine (PubChem CID 142126849) has the molecular formula C24H19F4N7 and a molecular weight of 481.46 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
PubChem CID142126849
Molecular FormulaC24H19F4N7
Molecular Weight481.46 g/mol
Exact Mass481.16
IUPAC Name6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine
SMILESNCCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1
InChIInChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35)
InChIKeyCURKEQKGPDWWCE-UHFFFAOYSA-N
XLogP5.45
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.46
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
VU2957
CID 134191471
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395
N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 135397887
5-benzyl-8-fluoro-3-hydrazinyl-5H-[1,2,4]triazino[5,6-b]indole
CID 6401719
N-[2-(4-methylphenyl)ethyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16010788
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-4-phenyl-1-phthalazinamine
CID 6403897
N2-methyl-N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 9858715
2-N-[(4-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 9924438

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The IUPAC name of 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine (CID 142126849) is 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The canonical SMILES for 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine is NCCNc1ccc2nc(-c3ccccc3C(F)(F)F)nc(Nc3n[nH]c4c(F)cccc34)c2c1.
What is the InChIKey of 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
The InChIKey is CURKEQKGPDWWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N7/c25-18-7-3-5-15-20(18)34-35-23(15)33-22-16-12-13(30-11-10-29)8-9-19(16)31-21(32-22)14-4-1-2-6-17(14)24(26,27)28/h1-9,12,30H,10-11,29H2,(H2,31,32,33,34,35).
What are the key properties of 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine?
6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine has a molecular weight of 481.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-4-N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 142126849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).