6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide

C20H19ClN2O3 — CID 55881590

IUPAC6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
SMILESCOCCOc1cccc(CNC(=O)c2cc(Cl)cc3cccnc23)c1
InChIInChI=1S/C20H19ClN2O3/c1-25-8-9-26-17-6-2-4-14(10-17)13-23-20(24)18-12-16(21)11-15-5-3-7-22-19(15)18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24)
InChIKeyBTWFTKQWPWAXDZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.84
Rot. Bonds7

About 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide

6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide (PubChem CID 55881590) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
PubChem CID55881590
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide
SMILESCOCCOc1cccc(CNC(=O)c2cc(Cl)cc3cccnc23)c1
InChIInChI=1S/C20H19ClN2O3/c1-25-8-9-26-17-6-2-4-14(10-17)13-23-20(24)18-12-16(21)11-15-5-3-7-22-19(15)18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24)
InChIKeyBTWFTKQWPWAXDZ-UHFFFAOYSA-N
XLogP3.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55912973
6-chloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]quinoline-8-carboxamide
CID 87025093
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
6-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoline-8-carboxamide
CID 120890313
6-chloro-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline-8-carboxamide
CID 56781980
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
6-chloro-N-[3-(2-hydroxyethoxy)propyl]quinoline-8-carboxamide
CID 110022221
1-[(3-chlorophenyl)methyl]-3-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine
CID 111176660
6-methoxy-N-(2-methoxyethyl)quinoline-8-carboxamide
CID 175792430
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide (CID 55881590) is 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide is COCCOc1cccc(CNC(=O)c2cc(Cl)cc3cccnc23)c1.
What is the InChIKey of 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide?
The InChIKey is BTWFTKQWPWAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-8-9-26-17-6-2-4-14(10-17)13-23-20(24)18-12-16(21)11-15-5-3-7-22-19(15)18/h2-7,10-12H,8-9,13H2,1H3,(H,23,24).
What are the key properties of 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide?
6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(2-methoxyethoxy)phenyl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 55881590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).