6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane

C13H13ClF2N2O2 — CID 145333231

IUPAC6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
SMILESCC.NC(=O)c1cnc2cc(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C11H7ClF2N2O2.C2H6/c12-7-2-5-1-6(10(15)17)4-16-8(5)3-9(7)18-11(13)14;1-2/h1-4,11H,(H2,15,17);1-2H3
InChIKeyLZXNPIWFWBDTBX-UHFFFAOYSA-N
MW302.71 g/mol
LogP3.61
Rot. Bonds3

About 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane

6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane (PubChem CID 145333231) has the molecular formula C13H13ClF2N2O2 and a molecular weight of 302.71 g/mol. Its IUPAC name is 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane.

Molecular Properties

Compound Name6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
PubChem CID145333231
Molecular FormulaC13H13ClF2N2O2
Molecular Weight302.71 g/mol
Exact Mass302.06
IUPAC Name6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane
SMILESCC.NC(=O)c1cnc2cc(OC(F)F)c(Cl)cc2c1
InChIInChI=1S/C11H7ClF2N2O2.C2H6/c12-7-2-5-1-6(10(15)17)4-16-8(5)3-9(7)18-11(13)14;1-2/h1-4,11H,(H2,15,17);1-2H3
InChIKeyLZXNPIWFWBDTBX-UHFFFAOYSA-N
XLogP3.61
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[6-chloro-7-(difluoromethoxy)quinoline-3-carbonyl]amino]-N,N-dimethylcyclohexan-1-amine oxide
CID 129247358
6-chloro-7-(difluoromethoxy)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]quinoline-3-carboxamide
CID 129247820
6-bromo-7-(difluoromethoxy)quinoline-3-carboxylic acid
CID 129247771
6-chloro-7-(2,2-difluorocyclopropyl)quinoline-3-carboxylic acid
CID 129247514
7-(difluoromethoxy)-N-[3-[[(2R)-1,1-difluoropropan-2-yl]amino]cyclobutyl]-6-fluoroquinoline-3-carboxamide
CID 129247506
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
7-fluoroquinoline-3-carboxamide
CID 54200639
1,7-naphthyridine-3,6-dicarboxamide
CID 90953080
N-[4-(2,2-difluoroethylamino)cyclohexyl]-7-(difluoromethoxy)-6-fluoroquinoline-3-carboxamide
CID 129247875
6-[bromo(methoxy)methyl]quinoline-3-carboxamide
CID 123700611
4-(difluoromethoxy)-6-methylpyridine-3-carboxamide
CID 174869415
1-[2-amino-5-chloro-4-(difluoromethoxy)phenyl]ethanone
CID 131333493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane?
The IUPAC name of 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane (CID 145333231) is 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane.
What is the SMILES notation for 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane?
The canonical SMILES for 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane is CC.NC(=O)c1cnc2cc(OC(F)F)c(Cl)cc2c1.
What is the InChIKey of 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane?
The InChIKey is LZXNPIWFWBDTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O2.C2H6/c12-7-2-5-1-6(10(15)17)4-16-8(5)3-9(7)18-11(13)14;1-2/h1-4,11H,(H2,15,17);1-2H3.
What are the key properties of 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane?
6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane has a molecular weight of 302.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(difluoromethoxy)quinoline-3-carboxamide;ethane is sourced from PubChem (CID 145333231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).