3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline

C21H34N2 — CID 166657831

IUPAC3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline
SMILESCCCCC1=C2CC(C)C3=CC=CC(C(C)C)C3N2C(C)N1C
InChIInChI=1S/C21H34N2/c1-7-8-12-19-20-13-15(4)18-11-9-10-17(14(2)3)21(18)23(20)16(5)22(19)6/h9-11,14-17,21H,7-8,12-13H2,1-6H3
InChIKeyQOUMPIHVSSFCNO-UHFFFAOYSA-N
MW314.52 g/mol
LogP5.16
Rot. Bonds4

About 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline

3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline (PubChem CID 166657831) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline.

Molecular Properties

Compound Name3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline
PubChem CID166657831
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC Name3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline
SMILESCCCCC1=C2CC(C)C3=CC=CC(C(C)C)C3N2C(C)N1C
InChIInChI=1S/C21H34N2/c1-7-8-12-19-20-13-15(4)18-11-9-10-17(14(2)3)21(18)23(20)16(5)22(19)6/h9-11,14-17,21H,7-8,12-13H2,1-6H3
InChIKeyQOUMPIHVSSFCNO-UHFFFAOYSA-N
XLogP5.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 89189652
CID 89189652
CID 91062283
CID 91062283
CID 117710261
CID 117710261
CID 138600231
CID 138600231
CID 138718078
CID 138718078
CID 139457875
CID 139457875
CID 144271332
CID 144271332
CID 157997698
CID 157997698
CID 163699699
CID 163699699
CID 166657482
CID 166657482
CID 166657708
CID 166657708
CID 166657716
CID 166657716

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline?
The IUPAC name of 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline (CID 166657831) is 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline.
What is the SMILES notation for 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline?
The canonical SMILES for 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline is CCCCC1=C2CC(C)C3=CC=CC(C(C)C)C3N2C(C)N1C.
What is the InChIKey of 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline?
The InChIKey is QOUMPIHVSSFCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2/c1-7-8-12-19-20-13-15(4)18-11-9-10-17(14(2)3)21(18)23(20)16(5)22(19)6/h9-11,14-17,21H,7-8,12-13H2,1-6H3.
What are the key properties of 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline?
3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline has a molecular weight of 314.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,2,5-trimethyl-9-propan-2-yl-4,5,9,9a-tetrahydro-1H-imidazo[1,5-a]quinoline is sourced from PubChem (CID 166657831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).