2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline

C18H28N2 — CID 171819555

IUPAC2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
SMILESCC1CC(C)(C)Nc2cc3c(cc21)NC(C)(C)CC3C
InChIInChI=1S/C18H28N2/c1-11-9-17(3,4)19-15-8-14-12(2)10-18(5,6)20-16(14)7-13(11)15/h7-8,11-12,19-20H,9-10H2,1-6H3
InChIKeyVXDKZGYWIUFGMN-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.08
Rot. Bonds

About 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline

2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline (PubChem CID 171819555) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline.

Molecular Properties

Compound Name2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
PubChem CID171819555
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline
SMILESCC1CC(C)(C)Nc2cc3c(cc21)NC(C)(C)CC3C
InChIInChI=1S/C18H28N2/c1-11-9-17(3,4)19-15-8-14-12(2)10-18(5,6)20-16(14)7-13(11)15/h7-8,11-12,19-20H,9-10H2,1-6H3
InChIKeyVXDKZGYWIUFGMN-UHFFFAOYSA-N
XLogP5.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline?
The IUPAC name of 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline (CID 171819555) is 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline.
What is the SMILES notation for 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline?
The canonical SMILES for 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline is CC1CC(C)(C)Nc2cc3c(cc21)NC(C)(C)CC3C.
What is the InChIKey of 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline?
The InChIKey is VXDKZGYWIUFGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-11-9-17(3,4)19-15-8-14-12(2)10-18(5,6)20-16(14)7-13(11)15/h7-8,11-12,19-20H,9-10H2,1-6H3.
What are the key properties of 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline?
2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline has a molecular weight of 272.44 g/mol, XLogP of 5.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,7,7,9-hexamethyl-1,3,4,6,8,9-hexahydropyrido[2,3-g]quinoline is sourced from PubChem (CID 171819555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).