3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide

C20H22N2O3 — CID 109052567

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-25-13-11-21-19(23)16-7-4-8-17(14-16)20(24)22-12-5-9-15-6-2-3-10-18(15)22/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,23)
InChIKeyRIJVDNVAJCXHQT-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide (PubChem CID 109052567) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
PubChem CID109052567
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-25-13-11-21-19(23)16-7-4-8-17(14-16)20(24)22-12-5-9-15-6-2-3-10-18(15)22/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,23)
InChIKeyRIJVDNVAJCXHQT-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
N-butyl-4-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109043735
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109048720
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methylbutyl)benzamide
CID 109048626
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide (CID 109052567) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is RIJVDNVAJCXHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-13-11-21-19(23)16-7-4-8-17(14-16)20(24)22-12-5-9-15-6-2-3-10-18(15)22/h2-4,6-8,10,14H,5,9,11-13H2,1H3,(H,21,23).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 109052567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).