4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

C22H15F3N6 — CID 68702577

IUPAC4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)14-4-3-5-15(11-14)28-21-29-19-7-2-1-6-17(19)20(30-21)27-16-8-9-18-13(10-16)12-26-31-18/h1-12H,(H,26,31)(H2,27,28,29,30)
InChIKeyQBBJMKNNSFKITB-UHFFFAOYSA-N
MW420.40 g/mol
LogP6.01
Rot. Bonds4

About 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (PubChem CID 68702577) has the molecular formula C22H15F3N6 and a molecular weight of 420.40 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
PubChem CID68702577
Molecular FormulaC22H15F3N6
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESFC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)14-4-3-5-15(11-14)28-21-29-19-7-2-1-6-17(19)20(30-21)27-16-8-9-18-13(10-16)12-26-31-18/h1-12H,(H,26,31)(H2,27,28,29,30)
InChIKeyQBBJMKNNSFKITB-UHFFFAOYSA-N
XLogP6.01
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.40
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 2790095
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
2-N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2,3-diamine
CID 122654637
N-[3-(trifluoromethyl)phenyl]acridin-9-amine
CID 2790705
N-[3-(trifluoromethyl)phenyl]acridin-9-amine;hydrochloride
CID 2790704
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
2-N-(3-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690518
4-N-(1H-indazol-5-yl)-6,7-dimethoxy-2-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 59066353

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (CID 68702577) is 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is FC(F)(F)c1cccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The InChIKey is QBBJMKNNSFKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6/c23-22(24,25)14-4-3-5-15(11-14)28-21-29-19-7-2-1-6-17(19)20(30-21)27-16-8-9-18-13(10-16)12-26-31-18/h1-12H,(H,26,31)(H2,27,28,29,30).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine has a molecular weight of 420.40 g/mol, XLogP of 6.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-[3-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 68702577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).