8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine

C25H22F3N7 — CID 162578160

IUPAC8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine
SMILESCn1nc2ccccc2c1Nc1nc(-c2ccccc2C(F)(F)F)nc2c(NCCN)cccc12
InChIInChI=1S/C25H22F3N7/c1-35-24(16-8-3-5-11-19(16)34-35)33-23-17-9-6-12-20(30-14-13-29)21(17)31-22(32-23)15-7-2-4-10-18(15)25(26,27)28/h2-12,30H,13-14,29H2,1H3,(H,31,32,33)
InChIKeyUCAQWSFNOKAWHB-UHFFFAOYSA-N
MW477.49 g/mol
LogP5.32
Rot. Bonds6

About 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine

8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine (PubChem CID 162578160) has the molecular formula C25H22F3N7 and a molecular weight of 477.49 g/mol. Its IUPAC name is 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine.

Molecular Properties

Compound Name8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine
PubChem CID162578160
Molecular FormulaC25H22F3N7
Molecular Weight477.49 g/mol
Exact Mass477.19
IUPAC Name8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine
SMILESCn1nc2ccccc2c1Nc1nc(-c2ccccc2C(F)(F)F)nc2c(NCCN)cccc12
InChIInChI=1S/C25H22F3N7/c1-35-24(16-8-3-5-11-19(16)34-35)33-23-17-9-6-12-20(30-14-13-29)21(17)31-22(32-23)15-7-2-4-10-18(15)25(26,27)28/h2-12,30H,13-14,29H2,1H3,(H,31,32,33)
InChIKeyUCAQWSFNOKAWHB-UHFFFAOYSA-N
XLogP5.32
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine?
The IUPAC name of 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine (CID 162578160) is 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine.
What is the SMILES notation for 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine?
The canonical SMILES for 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine is Cn1nc2ccccc2c1Nc1nc(-c2ccccc2C(F)(F)F)nc2c(NCCN)cccc12.
What is the InChIKey of 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine?
The InChIKey is UCAQWSFNOKAWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7/c1-35-24(16-8-3-5-11-19(16)34-35)33-23-17-9-6-12-20(30-14-13-29)21(17)31-22(32-23)15-7-2-4-10-18(15)25(26,27)28/h2-12,30H,13-14,29H2,1H3,(H,31,32,33).
What are the key properties of 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine?
8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine has a molecular weight of 477.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-aminoethyl)-4-N-(2-methylindazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline-4,8-diamine is sourced from PubChem (CID 162578160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).