N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide

C24H21F2N3O2 — CID 167779933

IUPACN-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide
SMILESO=C(NCC1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1)c1ccc2ncccc2c1
InChIInChI=1S/C24H21F2N3O2/c25-19-4-1-5-20(26)22(19)17-10-18(17)24(31)29-12-14(13-29)11-28-23(30)16-6-7-21-15(9-16)3-2-8-27-21/h1-9,14,17-18H,10-13H2,(H,28,30)/t17-,18-/m1/s1
InChIKeyQOYXAWODENOLCK-QZTJIDSGSA-N
MW421.45 g/mol
LogP3.50
Rot. Bonds5

About N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide

N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide (PubChem CID 167779933) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide
PubChem CID167779933
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide
SMILESO=C(NCC1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1)c1ccc2ncccc2c1
InChIInChI=1S/C24H21F2N3O2/c25-19-4-1-5-20(26)22(19)17-10-18(17)24(31)29-12-14(13-29)11-28-23(30)16-6-7-21-15(9-16)3-2-8-27-21/h1-9,14,17-18H,10-13H2,(H,28,30)/t17-,18-/m1/s1
InChIKeyQOYXAWODENOLCK-QZTJIDSGSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]-2-fluoropyridine-4-carboxamide
CID 58933843
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-[(2-fluoro-4-hydroxyphenyl)methyl]quinoline-6-carboxamide
CID 59192233
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
3,4-difluoro-N-[[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]methyl]benzamide
CID 151903016
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
N-octylquinoline-6-carboxamide
CID 68863650

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide (CID 167779933) is N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide is O=C(NCC1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide?
The InChIKey is QOYXAWODENOLCK-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-19-4-1-5-20(26)22(19)17-10-18(17)24(31)29-12-14(13-29)11-28-23(30)16-6-7-21-15(9-16)3-2-8-27-21/h1-9,14,17-18H,10-13H2,(H,28,30)/t17-,18-/m1/s1.
What are the key properties of N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide?
N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropanecarbonyl]azetidin-3-yl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 167779933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).