N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide

C18H20F2N2O2 — CID 129275976

IUPACN-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide
SMILESCc1cc2cc(C(=O)NC3CCCCC3)cnc2cc1OC(F)F
InChIInChI=1S/C18H20F2N2O2/c1-11-7-12-8-13(17(23)22-14-5-3-2-4-6-14)10-21-15(12)9-16(11)24-18(19)20/h7-10,14,18H,2-6H2,1H3,(H,22,23)
InChIKeyFPPRFRAHDADVNJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.21
Rot. Bonds4

About N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide

N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide (PubChem CID 129275976) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide
PubChem CID129275976
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide
SMILESCc1cc2cc(C(=O)NC3CCCCC3)cnc2cc1OC(F)F
InChIInChI=1S/C18H20F2N2O2/c1-11-7-12-8-13(17(23)22-14-5-3-2-4-6-14)10-21-15(12)9-16(11)24-18(19)20/h7-10,14,18H,2-6H2,1H3,(H,22,23)
InChIKeyFPPRFRAHDADVNJ-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide (CID 129275976) is N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide is Cc1cc2cc(C(=O)NC3CCCCC3)cnc2cc1OC(F)F.
What is the InChIKey of N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide?
The InChIKey is FPPRFRAHDADVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-7-12-8-13(17(23)22-14-5-3-2-4-6-14)10-21-15(12)9-16(11)24-18(19)20/h7-10,14,18H,2-6H2,1H3,(H,22,23).
What are the key properties of N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide?
N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-(difluoromethoxy)-6-methylquinoline-3-carboxamide is sourced from PubChem (CID 129275976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).