5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide

C22H30N2-2 — CID 162092887

IUPAC5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide
SMILESCCC/C=C\[C-]1C=C[C-]2C(=C1)N1C=CN(C)C1C(CCC)=C2CC
InChIInChI=1S/C22H30N2/c1-5-8-9-11-17-12-13-19-18(7-3)20(10-6-2)22-23(4)14-15-24(22)21(19)16-17/h9,11-16,22H,5-8,10H2,1-4H3/q-2/b11-9-
InChIKeyIVSZNXCSUAIIPH-LUAWRHEFSA-N
MW322.50 g/mol
LogP5.51
Rot. Bonds6

About 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide

5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide (PubChem CID 162092887) has the molecular formula C22H30N2-2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide.

Molecular Properties

Compound Name5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide
PubChem CID162092887
Molecular FormulaC22H30N2-2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide
SMILESCCC/C=C\[C-]1C=C[C-]2C(=C1)N1C=CN(C)C1C(CCC)=C2CC
InChIInChI=1S/C22H30N2/c1-5-8-9-11-17-12-13-19-18(7-3)20(10-6-2)22-23(4)14-15-24(22)21(19)16-17/h9,11-16,22H,5-8,10H2,1-4H3/q-2/b11-9-
InChIKeyIVSZNXCSUAIIPH-LUAWRHEFSA-N
XLogP5.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

13,13-Difluoro-6,9,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1,3,5,7,10,14(18),15-heptaene
CID 162573452
5-Tert-butyl-2-methyl-1,9-dihydroimidazo[1,5-a]quinoline-1,9-diide;iridium
CID 58517740
3-Ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
CID 71248614
1,3-bis[(6S)-2,4,6-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 89476076
2,3-Dimethyl-3,5,8,9-tetrahydroimidazo[5,1-a]isoindole
CID 89671491
1,3-bis(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-2H-imidazole
CID 123754159
1,5,7,8-tetramethyl-6-[(Z)-prop-1-enyl]-8,8a-dihydro-7H-imidazo[1,2-a]pyridine
CID 130440012
6-ethenyl-1,7,7,8,8-pentamethyl-5-[(Z)-prop-1-enyl]-8aH-imidazo[1,2-a]pyridine
CID 144013035
1,8-dimethyl-2-[(3E)-6-methylhepta-3,5-dien-3-yl]-8aH-imidazo[1,2-a]pyridine
CID 146384058
2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
CID 156686257
3-methylidene-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(3E)-penta-1,3-dien-3-yl]imidazo[1,5-a]pyridine
CID 166080070
2-ethyl-1-methyl-3-(2,4,6,6-tetramethylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-2H-benzimidazole
CID 166657820

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide?
The IUPAC name of 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide (CID 162092887) is 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide.
What is the SMILES notation for 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide?
The canonical SMILES for 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide is CCC/C=C\[C-]1C=C[C-]2C(=C1)N1C=CN(C)C1C(CCC)=C2CC.
What is the InChIKey of 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide?
The InChIKey is IVSZNXCSUAIIPH-LUAWRHEFSA-N. The full InChI is InChI=1S/C22H30N2/c1-5-8-9-11-17-12-13-19-18(7-3)20(10-6-2)22-23(4)14-15-24(22)21(19)16-17/h9,11-16,22H,5-8,10H2,1-4H3/q-2/b11-9-.
What are the key properties of 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide?
5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide has a molecular weight of 322.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-8-[(Z)-pent-1-enyl]-4-propyl-3aH-imidazo[1,2-a]quinoline-5a,8-diide is sourced from PubChem (CID 162092887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).