3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol

C16H19NO — CID 103564190

IUPAC3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C16H19NO/c1-11(2)13-8-16(18,9-13)14-7-12-5-3-4-6-15(12)17-10-14/h3-7,10-11,13,18H,8-9H2,1-2H3
InChIKeyMNNIISUHUPHREV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.49
Rot. Bonds2

About 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol

3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol (PubChem CID 103564190) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol.

Molecular Properties

Compound Name3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
PubChem CID103564190
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(c2cnc3ccccc3c2)C1
InChIInChI=1S/C16H19NO/c1-11(2)13-8-16(18,9-13)14-7-12-5-3-4-6-15(12)17-10-14/h3-7,10-11,13,18H,8-9H2,1-2H3
InChIKeyMNNIISUHUPHREV-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.49
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-3-ylcyclobutan-1-ol?
The IUPAC name of 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol (CID 103564190) is 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol.
What is the SMILES notation for 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol?
The canonical SMILES for 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol is CC(C)C1CC(O)(c2cnc3ccccc3c2)C1.
What is the InChIKey of 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol?
The InChIKey is MNNIISUHUPHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)13-8-16(18,9-13)14-7-12-5-3-4-6-15(12)17-10-14/h3-7,10-11,13,18H,8-9H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol?
3-propan-2-yl-1-quinolin-3-ylcyclobutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.49, 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-3-ylcyclobutan-1-ol is sourced from PubChem (CID 103564190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).