2-heptyl-1H-quinolin-2-ol

C16H23NO — CID 121473625

IUPAC2-heptyl-1H-quinolin-2-ol
SMILESCCCCCCCC1(O)C=Cc2ccccc2N1
InChIInChI=1S/C16H23NO/c1-2-3-4-5-8-12-16(18)13-11-14-9-6-7-10-15(14)17-16/h6-7,9-11,13,17-18H,2-5,8,12H2,1H3
InChIKeyIRMATYJZARYKGK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.17
Rot. Bonds6

About 2-heptyl-1H-quinolin-2-ol

2-heptyl-1H-quinolin-2-ol (PubChem CID 121473625) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-heptyl-1H-quinolin-2-ol.

Molecular Properties

Compound Name2-heptyl-1H-quinolin-2-ol
PubChem CID121473625
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-heptyl-1H-quinolin-2-ol
SMILESCCCCCCCC1(O)C=Cc2ccccc2N1
InChIInChI=1S/C16H23NO/c1-2-3-4-5-8-12-16(18)13-11-14-9-6-7-10-15(14)17-16/h6-7,9-11,13,17-18H,2-5,8,12H2,1H3
InChIKeyIRMATYJZARYKGK-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1H-quinolin-2-ol?
The IUPAC name of 2-heptyl-1H-quinolin-2-ol (CID 121473625) is 2-heptyl-1H-quinolin-2-ol.
What is the SMILES notation for 2-heptyl-1H-quinolin-2-ol?
The canonical SMILES for 2-heptyl-1H-quinolin-2-ol is CCCCCCCC1(O)C=Cc2ccccc2N1.
What is the InChIKey of 2-heptyl-1H-quinolin-2-ol?
The InChIKey is IRMATYJZARYKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-4-5-8-12-16(18)13-11-14-9-6-7-10-15(14)17-16/h6-7,9-11,13,17-18H,2-5,8,12H2,1H3.
What are the key properties of 2-heptyl-1H-quinolin-2-ol?
2-heptyl-1H-quinolin-2-ol has a molecular weight of 245.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1H-quinolin-2-ol is sourced from PubChem (CID 121473625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).