2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

C28H26F6N6 — CID 59015786

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCCC1CCCCN1Cc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C28H26F6N6/c1-2-19-6-3-4-13-40(19)16-24-38-22-14-17(25-21(27(29,30)31)7-5-12-35-25)8-10-20(22)26(39-24)37-18-9-11-23(36-15-18)28(32,33)34/h5,7-12,14-15,19H,2-4,6,13,16H2,1H3,(H,37,38,39)
InChIKeyHFAREMUTBPPETB-UHFFFAOYSA-N
MW560.55 g/mol
LogP7.63
Rot. Bonds6

About 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 59015786) has the molecular formula C28H26F6N6 and a molecular weight of 560.55 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID59015786
Molecular FormulaC28H26F6N6
Molecular Weight560.55 g/mol
Exact Mass560.21
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCCC1CCCCN1Cc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C28H26F6N6/c1-2-19-6-3-4-13-40(19)16-24-38-22-14-17(25-21(27(29,30)31)7-5-12-35-25)8-10-20(22)26(39-24)37-18-9-11-23(36-15-18)28(32,33)34/h5,7-12,14-15,19H,2-4,6,13,16H2,1H3,(H,37,38,39)
InChIKeyHFAREMUTBPPETB-UHFFFAOYSA-N
XLogP7.63
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.55
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537012
2-(2,3-didehydroimidazol-3-ium-1-ylmethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 162580354
2,4-bis[4-[[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]methyl]piperazin-1-yl]pentan-3-one
CID 150693989
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-2-carboxylic acid
CID 59811146
2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 10151532
2-[(dipentylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 22030507
7-(3-chloro-2-pyridinyl)-2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 58665908
2-[[(2-methoxyphenyl)methylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 22030408
1-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]piperidine-4-carboxamide
CID 23537006
2-[[cyclohexyl(methyl)amino]methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 23537077
2-[2-(4-ethoxypiperidin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030029
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-[2-(2-chlorophenyl)ethyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 58970438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (CID 59015786) is 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is CCC1CCCCN1Cc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is HFAREMUTBPPETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F6N6/c1-2-19-6-3-4-13-40(19)16-24-38-22-14-17(25-21(27(29,30)31)7-5-12-35-25)8-10-20(22)26(39-24)37-18-9-11-23(36-15-18)28(32,33)34/h5,7-12,14-15,19H,2-4,6,13,16H2,1H3,(H,37,38,39).
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 560.55 g/mol, XLogP of 7.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-1-yl)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 59015786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).