3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol

C18H23NO — CID 107450011

IUPAC3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3cccnc3c2)C1
InChIInChI=1S/C18H23NO/c1-13(2)15-5-3-9-18(20,12-15)16-8-7-14-6-4-10-19-17(14)11-16/h4,6-8,10-11,13,15,20H,3,5,9,12H2,1-2H3
InChIKeyPEPBBUNQUUJRGT-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.27
Rot. Bonds2

About 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol

3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol (PubChem CID 107450011) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
PubChem CID107450011
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3cccnc3c2)C1
InChIInChI=1S/C18H23NO/c1-13(2)15-5-3-9-18(20,12-15)16-8-7-14-6-4-10-19-17(14)11-16/h4,6-8,10-11,13,15,20H,3,5,9,12H2,1-2H3
InChIKeyPEPBBUNQUUJRGT-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol?
The IUPAC name of 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol (CID 107450011) is 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(c2ccc3cccnc3c2)C1.
What is the InChIKey of 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol?
The InChIKey is PEPBBUNQUUJRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-5-3-9-18(20,12-15)16-8-7-14-6-4-10-19-17(14)11-16/h4,6-8,10-11,13,15,20H,3,5,9,12H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol?
3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-quinolin-7-ylcyclohexan-1-ol is sourced from PubChem (CID 107450011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).