5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine

C26H32N4 — CID 155034298

About 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine

5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine (PubChem CID 155034298) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine.

Molecular Properties

• Compound Name: 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine
• PubChem CID: 155034298
• Molecular Formula: C26H32N4
• Molecular Weight: 400.57 g/mol
• Exact Mass: 400.26
• IUPAC Name: 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine
• SMILES: C=CC1(C)c2ccccc2N2C(N(C)C(C)C)=C(N=C)N(c3ccccc3)C2C1C
• InChI: InChI=1S/C26H32N4/c1-8-26(5)19(4)24-29(20-14-10-9-11-15-20)23(27-6)25(28(7)18(2)3)30(24)22-17-13-12-16-21(22)26/h8-19,24H,1,6H2,2-5,7H3
• InChIKey: GPXZVPGAXCNDPP-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 22.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine?

The IUPAC name of 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine (CID 155034298) is 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine.

What is the SMILES notation for 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine?

The canonical SMILES for 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine is C=CC1(C)c2ccccc2N2C(N(C)C(C)C)=C(N=C)N(c3ccccc3)C2C1C.

What is the InChIKey of 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine?

The InChIKey is GPXZVPGAXCNDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c1-8-26(5)19(4)24-29(20-14-10-9-11-15-20)23(27-6)25(28(7)18(2)3)30(24)22-17-13-12-16-21(22)26/h8-19,24H,1,6H2,2-5,7H3.

What are the key properties of 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine?

5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine has a molecular weight of 400.57 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine is sourced from PubChem (CID 155034298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).