2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide

C20H23N3O — CID 9258499

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
SMILESCCc1ccc(/C=N\NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-2-16-9-11-17(12-10-16)14-21-22-20(24)15-23-13-5-7-18-6-3-4-8-19(18)23/h3-4,6,8-12,14H,2,5,7,13,15H2,1H3,(H,22,24)/b21-14-
InChIKeyMGZISMOTRQOJCH-STZFKDTASA-N
MW321.42 g/mol
LogP3.15
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide (PubChem CID 9258499) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
PubChem CID9258499
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide
SMILESCCc1ccc(/C=N\NC(=O)CN2CCCc3ccccc32)cc1
InChIInChI=1S/C20H23N3O/c1-2-16-9-11-17(12-10-16)14-21-22-20(24)15-23-13-5-7-18-6-3-4-8-19(18)23/h3-4,6,8-12,14H,2,5,7,13,15H2,1H3,(H,22,24)/b21-14-
InChIKeyMGZISMOTRQOJCH-STZFKDTASA-N
XLogP3.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
2-[2-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 9258441
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]acetamide
CID 9148353
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-pentan-2-ylideneamino]acetamide
CID 9258094
2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
CID 6140320
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
CID 5209302
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 9258036

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide (CID 9258499) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide is CCc1ccc(/C=N\NC(=O)CN2CCCc3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide?
The InChIKey is MGZISMOTRQOJCH-STZFKDTASA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-16-9-11-17(12-10-16)14-21-22-20(24)15-23-13-5-7-18-6-3-4-8-19(18)23/h3-4,6,8-12,14H,2,5,7,13,15H2,1H3,(H,22,24)/b21-14-.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(Z)-(4-ethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).