2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline

C17H23N — CID 159790921

IUPAC2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline
SMILESCc1nc2c(C)c(C)c(C)c(C)c2cc1C(C)C
InChIInChI=1S/C17H23N/c1-9(2)15-8-16-12(5)10(3)11(4)13(6)17(16)18-14(15)7/h8-9H,1-7H3
InChIKeyUAMFOYPZOJJWFG-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.90
Rot. Bonds1

About 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline

2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline (PubChem CID 159790921) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline
PubChem CID159790921
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline
SMILESCc1nc2c(C)c(C)c(C)c(C)c2cc1C(C)C
InChIInChI=1S/C17H23N/c1-9(2)15-8-16-12(5)10(3)11(4)13(6)17(16)18-14(15)7/h8-9H,1-7H3
InChIKeyUAMFOYPZOJJWFG-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline?
The IUPAC name of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline (CID 159790921) is 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline.
What is the SMILES notation for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline?
The canonical SMILES for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline is Cc1nc2c(C)c(C)c(C)c(C)c2cc1C(C)C.
What is the InChIKey of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline?
The InChIKey is UAMFOYPZOJJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-9(2)15-8-16-12(5)10(3)11(4)13(6)17(16)18-14(15)7/h8-9H,1-7H3.
What are the key properties of 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline?
2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline has a molecular weight of 241.38 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7,8-pentamethyl-3-propan-2-ylquinoline is sourced from PubChem (CID 159790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).