ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate

C21H28N2O3 — CID 60521634

IUPACethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C21H28N2O3/c1-4-26-20(24)9-7-5-6-8-12-22-21(25)18-14-16(3)23-19-11-10-15(2)13-17(18)19/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,25)
InChIKeyXQVQWHDWZVFWCN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.10
Rot. Bonds9

About ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate

ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate (PubChem CID 60521634) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate.

Molecular Properties

Compound Nameethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
PubChem CID60521634
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nameethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
SMILESCCOC(=O)CCCCCCNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C21H28N2O3/c1-4-26-20(24)9-7-5-6-8-12-22-21(25)18-14-16(3)23-19-11-10-15(2)13-17(18)19/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,25)
InChIKeyXQVQWHDWZVFWCN-UHFFFAOYSA-N
XLogP4.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
CID 31838218
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate?
The IUPAC name of ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate (CID 60521634) is ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate.
What is the SMILES notation for ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate?
The canonical SMILES for ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate is CCOC(=O)CCCCCCNC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate?
The InChIKey is XQVQWHDWZVFWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-20(24)9-7-5-6-8-12-22-21(25)18-14-16(3)23-19-11-10-15(2)13-17(18)19/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,25).
What are the key properties of ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate?
ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate has a molecular weight of 356.47 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate is sourced from PubChem (CID 60521634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).