7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C16H19NO — CID 58759349

IUPAC7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCC(C)(C)c1ccc2[nH]c3c(c(=O)c2c1)CCC3
InChIInChI=1S/C16H19NO/c1-16(2,3)10-7-8-14-12(9-10)15(18)11-5-4-6-13(11)17-14/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyUNJZNCXDZIZRGA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.31
Rot. Bonds

About 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 58759349) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID58759349
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCC(C)(C)c1ccc2[nH]c3c(c(=O)c2c1)CCC3
InChIInChI=1S/C16H19NO/c1-16(2,3)10-7-8-14-12(9-10)15(18)11-5-4-6-13(11)17-14/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyUNJZNCXDZIZRGA-UHFFFAOYSA-N
XLogP3.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 58759349) is 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is CC(C)(C)c1ccc2[nH]c3c(c(=O)c2c1)CCC3.
What is the InChIKey of 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is UNJZNCXDZIZRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,3)10-7-8-14-12(9-10)15(18)11-5-4-6-13(11)17-14/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 241.33 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 58759349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).