2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

C23H25F3N4 — CID 155520015

IUPAC2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3CCNCC3)ccc2n1
InChIInChI=1S/C23H25F3N4/c1-14(17-4-3-5-19(12-17)23(24,25)26)28-22-20-13-18(16-8-10-27-11-9-16)6-7-21(20)29-15(2)30-22/h3-7,12-14,16,27H,8-11H2,1-2H3,(H,28,29,30)/t14-/m1/s1
InChIKeyVXPLFYVSXKLACJ-CQSZACIVSA-N
MW414.48 g/mol
LogP5.60
Rot. Bonds4

About 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine

2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 155520015) has the molecular formula C23H25F3N4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
PubChem CID155520015
Molecular FormulaC23H25F3N4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3CCNCC3)ccc2n1
InChIInChI=1S/C23H25F3N4/c1-14(17-4-3-5-19(12-17)23(24,25)26)28-22-20-13-18(16-8-10-27-11-9-16)6-7-21(20)29-15(2)30-22/h3-7,12-14,16,27H,8-11H2,1-2H3,(H,28,29,30)/t14-/m1/s1
InChIKeyVXPLFYVSXKLACJ-CQSZACIVSA-N
XLogP5.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Spautin-1
CID 51037431
Ngd-8243
CID 11247522
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Senexin A
CID 56927063
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine (CID 155520015) is 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3CCNCC3)ccc2n1.
What is the InChIKey of 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is VXPLFYVSXKLACJ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25F3N4/c1-14(17-4-3-5-19(12-17)23(24,25)26)28-22-20-13-18(16-8-10-27-11-9-16)6-7-21(20)29-15(2)30-22/h3-7,12-14,16,27H,8-11H2,1-2H3,(H,28,29,30)/t14-/m1/s1.
What are the key properties of 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine?
2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 414.48 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 155520015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).