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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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).