N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide

C17H18F2N2O2 — CID 166278244

IUPACN-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide
SMILESCN(C(=O)c1ccc2cccnc2c1O)C1CCC(F)(F)CC1
InChIInChI=1S/C17H18F2N2O2/c1-21(12-6-8-17(18,19)9-7-12)16(23)13-5-4-11-3-2-10-20-14(11)15(13)22/h2-5,10,12,22H,6-9H2,1H3
InChIKeyONWLTKYIGTVKRK-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.59
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide

N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide (PubChem CID 166278244) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide
PubChem CID166278244
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC NameN-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide
SMILESCN(C(=O)c1ccc2cccnc2c1O)C1CCC(F)(F)CC1
InChIInChI=1S/C17H18F2N2O2/c1-21(12-6-8-17(18,19)9-7-12)16(23)13-5-4-11-3-2-10-20-14(11)15(13)22/h2-5,10,12,22H,6-9H2,1H3
InChIKeyONWLTKYIGTVKRK-UHFFFAOYSA-N
XLogP3.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide (CID 166278244) is N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide is CN(C(=O)c1ccc2cccnc2c1O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide?
The InChIKey is ONWLTKYIGTVKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-21(12-6-8-17(18,19)9-7-12)16(23)13-5-4-11-3-2-10-20-14(11)15(13)22/h2-5,10,12,22H,6-9H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide?
N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide has a molecular weight of 320.34 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-8-hydroxy-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 166278244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).