3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide

C23H16ClF2N3O2 — CID 155779030

IUPAC3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1c(F)cncc1F
InChIInChI=1S/C23H16ClF2N3O2/c1-13-15(23(30)29-10-17-18(25)11-27-12-19(17)26)3-2-4-21(13)31-22-7-8-28-20-9-14(24)5-6-16(20)22/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyAGCPNCNQOHAROH-UHFFFAOYSA-N
MW439.85 g/mol
LogP5.59
Rot. Bonds5

About 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide

3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide (PubChem CID 155779030) has the molecular formula C23H16ClF2N3O2 and a molecular weight of 439.85 g/mol. Its IUPAC name is 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide
PubChem CID155779030
Molecular FormulaC23H16ClF2N3O2
Molecular Weight439.85 g/mol
Exact Mass439.09
IUPAC Name3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide
SMILESCc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1c(F)cncc1F
InChIInChI=1S/C23H16ClF2N3O2/c1-13-15(23(30)29-10-17-18(25)11-27-12-19(17)26)3-2-4-21(13)31-22-7-8-28-20-9-14(24)5-6-16(20)22/h2-9,11-12H,10H2,1H3,(H,29,30)
InChIKeyAGCPNCNQOHAROH-UHFFFAOYSA-N
XLogP5.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
Biarylether amide quinoline, 4i
CID 44472997
3-[3-(8-Chloro-3-methylquinolin-4-yl)phenoxy]-N-ethylbenzamide
CID 44472998
Biarylether amide quinoline, 4k
CID 44472999
Biarylether amide quinoline, 4l
CID 44473000
Biarylether amide quinoline, 4m
CID 44473001
Biarylether amide quinoline, 4o
CID 44473003
3-{7-Chloro-3-(3,5-dimethylphenyl)-4-[2-(piperidin-2-yl)ethoxy]quinolin-6-yl}benzamide
CID 24951597
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)quinolin-6-yl]benzamide
CID 24956953
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256810
4-chloro-N-[1-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
CID 153288903

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide (CID 155779030) is 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide is Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1c(F)cncc1F.
What is the InChIKey of 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide?
The InChIKey is AGCPNCNQOHAROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O2/c1-13-15(23(30)29-10-17-18(25)11-27-12-19(17)26)3-2-4-21(13)31-22-7-8-28-20-9-14(24)5-6-16(20)22/h2-9,11-12H,10H2,1H3,(H,29,30).
What are the key properties of 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide?
3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide has a molecular weight of 439.85 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroquinolin-4-yl)oxy-N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 155779030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).