6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine

C26H16F6N4 — CID 142128073

IUPAC6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine
SMILESFC(F)(F)c1ccccc1-c1nc(NC2=C3CC3Nc3cccc(C(F)(F)F)c32)c2ccccc2n1
InChIInChI=1S/C26H16F6N4/c27-25(28,29)16-8-3-1-6-13(16)23-34-18-10-4-2-7-14(18)24(36-23)35-22-15-12-20(15)33-19-11-5-9-17(21(19)22)26(30,31)32/h1-11,20,33H,12H2,(H,34,35,36)
InChIKeyFMVAWNPRTDFVAO-UHFFFAOYSA-N
MW498.43 g/mol
LogP7.36
Rot. Bonds3

About 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine

6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine (PubChem CID 142128073) has the molecular formula C26H16F6N4 and a molecular weight of 498.43 g/mol. Its IUPAC name is 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine
PubChem CID142128073
Molecular FormulaC26H16F6N4
Molecular Weight498.43 g/mol
Exact Mass498.13
IUPAC Name6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine
SMILESFC(F)(F)c1ccccc1-c1nc(NC2=C3CC3Nc3cccc(C(F)(F)F)c32)c2ccccc2n1
InChIInChI=1S/C26H16F6N4/c27-25(28,29)16-8-3-1-6-13(16)23-34-18-10-4-2-7-14(18)24(36-23)35-22-15-12-20(15)33-19-11-5-9-17(21(19)22)26(30,31)32/h1-11,20,33H,12H2,(H,34,35,36)
InChIKeyFMVAWNPRTDFVAO-UHFFFAOYSA-N
XLogP7.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-4,5-dihydropyrimidin-6-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142127517
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10179090
N-(2-ethyl-3-thiophen-2-yl-2H-pyrrol-5-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126102
N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
N-(2-thiophen-2-ylethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 166632975
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59085496
N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898195
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898197
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine?
The IUPAC name of 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine (CID 142128073) is 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine.
What is the SMILES notation for 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine?
The canonical SMILES for 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine is FC(F)(F)c1ccccc1-c1nc(NC2=C3CC3Nc3cccc(C(F)(F)F)c32)c2ccccc2n1.
What is the InChIKey of 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine?
The InChIKey is FMVAWNPRTDFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N4/c27-25(28,29)16-8-3-1-6-13(16)23-34-18-10-4-2-7-14(18)24(36-23)35-22-15-12-20(15)33-19-11-5-9-17(21(19)22)26(30,31)32/h1-11,20,33H,12H2,(H,34,35,36).
What are the key properties of 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine?
6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine has a molecular weight of 498.43 g/mol, XLogP of 7.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]-1a,2-dihydro-1H-cyclopropa[b]quinolin-7-amine is sourced from PubChem (CID 142128073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).