2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

C14H15ClN2O3 — CID 7136774

IUPAC2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCOc1ccc2cc(CCNC(=O)CCl)c(=O)[nH]c2c1
InChIInChI=1S/C14H15ClN2O3/c1-20-11-3-2-9-6-10(4-5-16-13(18)8-15)14(19)17-12(9)7-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyVISLLVQFFLBXKG-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.43
Rot. Bonds5

About 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (PubChem CID 7136774) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
PubChem CID7136774
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCOc1ccc2cc(CCNC(=O)CCl)c(=O)[nH]c2c1
InChIInChI=1S/C14H15ClN2O3/c1-20-11-3-2-9-6-10(4-5-16-13(18)8-15)14(19)17-12(9)7-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyVISLLVQFFLBXKG-UHFFFAOYSA-N
XLogP1.43
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
2-cyclohexyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 4156629
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110662836
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(oxan-2-yl)acetamide
CID 110609197
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
1-benzyl-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137050
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-nitrobenzamide
CID 7136772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (CID 7136774) is 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is COc1ccc2cc(CCNC(=O)CCl)c(=O)[nH]c2c1.
What is the InChIKey of 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is VISLLVQFFLBXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-20-11-3-2-9-6-10(4-5-16-13(18)8-15)14(19)17-12(9)7-11/h2-3,6-7H,4-5,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 294.74 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 7136774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).