8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide

C17H17FN2O3 — CID 123738490

IUPAC8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide
SMILESO=Cc1cc(C(=O)NC2CCCCC2O)nc2c(F)cccc12
InChIInChI=1S/C17H17FN2O3/c18-12-5-3-4-11-10(9-21)8-14(19-16(11)12)17(23)20-13-6-1-2-7-15(13)22/h3-5,8-9,13,15,22H,1-2,6-7H2,(H,20,23)
InChIKeyMMLUVVSNOUOLMP-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.22
Rot. Bonds3

About 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide

8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide (PubChem CID 123738490) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide
PubChem CID123738490
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide
SMILESO=Cc1cc(C(=O)NC2CCCCC2O)nc2c(F)cccc12
InChIInChI=1S/C17H17FN2O3/c18-12-5-3-4-11-10(9-21)8-14(19-16(11)12)17(23)20-13-6-1-2-7-15(13)22/h3-5,8-9,13,15,22H,1-2,6-7H2,(H,20,23)
InChIKeyMMLUVVSNOUOLMP-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide (CID 123738490) is 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide is O=Cc1cc(C(=O)NC2CCCCC2O)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide?
The InChIKey is MMLUVVSNOUOLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c18-12-5-3-4-11-10(9-21)8-14(19-16(11)12)17(23)20-13-6-1-2-7-15(13)22/h3-5,8-9,13,15,22H,1-2,6-7H2,(H,20,23).
What are the key properties of 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide?
8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-formyl-N-(2-hydroxycyclohexyl)quinoline-2-carboxamide is sourced from PubChem (CID 123738490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).