9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline

C22H23NO — CID 23740625

IUPAC9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1ccc(C(C)C)c(Oc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C22H23NO/c1-14(2)16-12-11-15(3)13-21(16)24-22-17-7-4-5-9-19(17)23-20-10-6-8-18(20)22/h4-5,7,9,11-14H,6,8,10H2,1-3H3
InChIKeyUOTOBGUUWWOWQW-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.95
Rot. Bonds3

About 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline

9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 23740625) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID23740625
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCc1ccc(C(C)C)c(Oc2c3c(nc4ccccc24)CCC3)c1
InChIInChI=1S/C22H23NO/c1-14(2)16-12-11-15(3)13-21(16)24-22-17-7-4-5-9-19(17)23-20-10-6-8-18(20)22/h4-5,7,9,11-14H,6,8,10H2,1-3H3
InChIKeyUOTOBGUUWWOWQW-UHFFFAOYSA-N
XLogP5.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 23740625) is 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline is Cc1ccc(C(C)C)c(Oc2c3c(nc4ccccc24)CCC3)c1.
What is the InChIKey of 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is UOTOBGUUWWOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-14(2)16-12-11-15(3)13-21(16)24-22-17-7-4-5-9-19(17)23-20-10-6-8-18(20)22/h4-5,7,9,11-14H,6,8,10H2,1-3H3.
What are the key properties of 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 317.43 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 23740625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).