3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide

C20H19ClN2O3 — CID 71576803

IUPAC3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2ccc3c(C)cc(=O)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBENWFAKBOBCZKA-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.53
Rot. Bonds5

About 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide

3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide (PubChem CID 71576803) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide
PubChem CID71576803
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2ccc3c(C)cc(=O)[nH]c3c2)c(Cl)c1
InChIInChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyBENWFAKBOBCZKA-UHFFFAOYSA-N
XLogP3.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 24760653
3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 71576802
3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
CID 146018272
2,5-dichloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979196
2-chloro-N-(2,3-dimethylphenyl)-N-(2-ethoxyethyl)benzamide
CID 1937957
4-chloro-N-[4-(2-methylanilino)-4-oxobutyl]benzamide
CID 9509562
N-(2-chlorobenzyl)-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 15988093
4-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-7,8-dihydronaphthalen-2-yl]benzamide
CID 21939915
2-[(4-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2803203
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 67238992

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide (CID 71576803) is 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide is COCCNC(=O)c1ccc(-c2ccc3c(C)cc(=O)[nH]c3c2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
The InChIKey is BENWFAKBOBCZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide?
3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide has a molecular weight of 370.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 71576803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).