N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine

C25H23F3N6 — CID 123751580

IUPACN,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine
SMILESCc1nc(N=CCc2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(N(C)C)cccc12
InChIInChI=1S/C25H23F3N6/c1-16-21-8-5-9-22(34(2)3)23(21)33-24(31-16)29-13-12-18-10-11-20(15-30-18)32-19-7-4-6-17(14-19)25(26,27)28/h4-11,13-15,32H,12H2,1-3H3
InChIKeyFBBJJAVJDPIACU-UHFFFAOYSA-N
MW464.50 g/mol
LogP6.11
Rot. Bonds6

About N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine

N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine (PubChem CID 123751580) has the molecular formula C25H23F3N6 and a molecular weight of 464.50 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine
PubChem CID123751580
Molecular FormulaC25H23F3N6
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC NameN,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine
SMILESCc1nc(N=CCc2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(N(C)C)cccc12
InChIInChI=1S/C25H23F3N6/c1-16-21-8-5-9-22(34(2)3)23(21)33-24(31-16)29-13-12-18-10-11-20(15-30-18)32-19-7-4-6-17(14-19)25(26,27)28/h4-11,13-15,32H,12H2,1-3H3
InChIKeyFBBJJAVJDPIACU-UHFFFAOYSA-N
XLogP6.11
TPSA66.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-7-amine
CID 123767861
4-methyl-7-N-(2-methylpropyl)-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;4-methyl-7-N-propan-2-yl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;7-N,7-N,4-trimethyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine;8-N,8-N,4-trimethyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine
CID 172946748
8-(cyclopropylmethyl)-4-methyl-N-[(E)-2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethenyl]quinazolin-2-amine
CID 118600176
6-[[(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 91324229
4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 58877264
4-methyl-8-N-(2-methylpropyl)-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine;4-methyl-8-N-propan-2-yl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,8-diamine
CID 172961249
6-ethenyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 89261435
4-methyl-2-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazoline-2,7-diamine
CID 143430854
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
ethane;4-methyl-7-phenyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine
CID 143431222
6-N-[[4-(dimethylamino)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 58040283
4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
CID 58876733

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine?
The IUPAC name of N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine (CID 123751580) is N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine.
What is the SMILES notation for N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine?
The canonical SMILES for N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine is Cc1nc(N=CCc2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc2c(N(C)C)cccc12.
What is the InChIKey of N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine?
The InChIKey is FBBJJAVJDPIACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6/c1-16-21-8-5-9-22(34(2)3)23(21)33-24(31-16)29-13-12-18-10-11-20(15-30-18)32-19-7-4-6-17(14-19)25(26,27)28/h4-11,13-15,32H,12H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine?
N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine has a molecular weight of 464.50 g/mol, XLogP of 6.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[2-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]ethylideneamino]quinazolin-8-amine is sourced from PubChem (CID 123751580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).