8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid

C58H45F6N5O7 — CID 161020490

IUPAC8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid
SMILESN#Cc1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(O)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C24H24F2N2O3.C17H10F2N2O.C17H11F2NO3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24;18-14-4-2-5-15(19)13(14)10-22-16-6-1-3-12-11(9-20)7-8-21-17(12)16;18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-11(17(21)22)7-8-20-16(10)15/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29);1-8H,10H2;1-8H,9H2,(H,21,22)
InChIKeyTYHKQOOIJBWOMU-UHFFFAOYSA-N
MW1038.01 g/mol
LogP12.27
Rot. Bonds14

About 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid

8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid (PubChem CID 161020490) has the molecular formula C58H45F6N5O7 and a molecular weight of 1038.01 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid
PubChem CID161020490
Molecular FormulaC58H45F6N5O7
Molecular Weight1038.01 g/mol
Exact Mass1037.32
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid
SMILESN#Cc1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(O)c1ccnc2c(OCc3c(F)cccc3F)cccc12
InChIInChI=1S/C24H24F2N2O3.C17H10F2N2O.C17H11F2NO3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24;18-14-4-2-5-15(19)13(14)10-22-16-6-1-3-12-11(9-20)7-8-21-17(12)16;18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-11(17(21)22)7-8-20-16(10)15/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29);1-8H,10H2;1-8H,9H2,(H,21,22)
InChIKeyTYHKQOOIJBWOMU-UHFFFAOYSA-N
XLogP12.27
TPSA176.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001038.01
LogP ≤ 512.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid (CID 161020490) is 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid is N#Cc1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(NCCC1(O)CCCC1)c1ccnc2c(OCc3c(F)cccc3F)cccc12.O=C(O)c1ccnc2c(OCc3c(F)cccc3F)cccc12.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid?
The InChIKey is TYHKQOOIJBWOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3.C17H10F2N2O.C17H11F2NO3/c25-19-6-4-7-20(26)18(19)15-31-21-8-3-5-16-17(9-13-27-22(16)21)23(29)28-14-12-24(30)10-1-2-11-24;18-14-4-2-5-15(19)13(14)10-22-16-6-1-3-12-11(9-20)7-8-21-17(12)16;18-13-4-2-5-14(19)12(13)9-23-15-6-1-3-10-11(17(21)22)7-8-20-16(10)15/h3-9,13,30H,1-2,10-12,14-15H2,(H,28,29);1-8H,10H2;1-8H,9H2,(H,21,22).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid?
8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid has a molecular weight of 1038.01 g/mol, XLogP of 12.27, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-N-[2-(1-hydroxycyclopentyl)ethyl]quinoline-4-carboxamide;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carbonitrile;8-[(2,6-difluorophenyl)methoxy]quinoline-4-carboxylic acid is sourced from PubChem (CID 161020490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).