8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline

C21H32N2 — CID 123299560

IUPAC8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
SMILESCCCCc1ccc2c(c1)N1C=CN(C)C1C(C)(CC)C2(C)C
InChIInChI=1S/C21H32N2/c1-7-9-10-16-11-12-17-18(15-16)23-14-13-22(6)19(23)21(5,8-2)20(17,3)4/h11-15,19H,7-10H2,1-6H3
InChIKeyMBTHUYRXAQJNJB-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.29
Rot. Bonds4

About 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline

8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline (PubChem CID 123299560) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline.

Molecular Properties

Compound Name8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
PubChem CID123299560
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline
SMILESCCCCc1ccc2c(c1)N1C=CN(C)C1C(C)(CC)C2(C)C
InChIInChI=1S/C21H32N2/c1-7-9-10-16-11-12-17-18(15-16)23-14-13-22(6)19(23)21(5,8-2)20(17,3)4/h11-15,19H,7-10H2,1-6H3
InChIKeyMBTHUYRXAQJNJB-UHFFFAOYSA-N
XLogP5.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(7-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)cyclohexan-1-ol
CID 69003692
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CID 10726726
5-butyl-2-fluorobenzaldehyde
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4-butyl-1-chloro-2-fluorobenzene
CID 20755408

Frequently Asked Questions

What is the IUPAC name of 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The IUPAC name of 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline (CID 123299560) is 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline.
What is the SMILES notation for 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The canonical SMILES for 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline is CCCCc1ccc2c(c1)N1C=CN(C)C1C(C)(CC)C2(C)C.
What is the InChIKey of 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
The InChIKey is MBTHUYRXAQJNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-7-9-10-16-11-12-17-18(15-16)23-14-13-22(6)19(23)21(5,8-2)20(17,3)4/h11-15,19H,7-10H2,1-6H3.
What are the key properties of 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline?
8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline has a molecular weight of 312.50 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-4-ethyl-3,4,5,5-tetramethyl-3aH-imidazo[1,2-a]quinoline is sourced from PubChem (CID 123299560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).