4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile

C18H25N3 — CID 138667558

IUPAC4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile
SMILESCCC1(C)C2=C(CCC(C#N)=C2)N2C=CNC2C1(C)CC
InChIInChI=1S/C18H25N3/c1-5-17(3)14-11-13(12-19)7-8-15(14)21-10-9-20-16(21)18(17,4)6-2/h9-11,16,20H,5-8H2,1-4H3
InChIKeyNIKSHKOTXVUHFG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.03
Rot. Bonds2

About 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile

4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile (PubChem CID 138667558) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile
PubChem CID138667558
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile
SMILESCCC1(C)C2=C(CCC(C#N)=C2)N2C=CNC2C1(C)CC
InChIInChI=1S/C18H25N3/c1-5-17(3)14-11-13(12-19)7-8-15(14)21-10-9-20-16(21)18(17,4)6-2/h9-11,16,20H,5-8H2,1-4H3
InChIKeyNIKSHKOTXVUHFG-UHFFFAOYSA-N
XLogP4.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile?
The IUPAC name of 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile (CID 138667558) is 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile.
What is the SMILES notation for 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile?
The canonical SMILES for 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile is CCC1(C)C2=C(CCC(C#N)=C2)N2C=CNC2C1(C)CC.
What is the InChIKey of 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile?
The InChIKey is NIKSHKOTXVUHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-17(3)14-11-13(12-19)7-8-15(14)21-10-9-20-16(21)18(17,4)6-2/h9-11,16,20H,5-8H2,1-4H3.
What are the key properties of 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile?
4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile has a molecular weight of 283.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4,5-dimethyl-3,3a,8,9-tetrahydroimidazo[1,2-a]quinoline-7-carbonitrile is sourced from PubChem (CID 138667558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).