methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate

C19H24N2O3 — CID 31838218

IUPACmethyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H24N2O3/c1-13-8-9-17-15(11-13)16(12-14(2)21-17)19(23)20-10-6-4-5-7-18(22)24-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyBDOHYIKFEUZFPY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.31
Rot. Bonds7

About methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate

methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate (PubChem CID 31838218) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
PubChem CID31838218
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H24N2O3/c1-13-8-9-17-15(11-13)16(12-14(2)21-17)19(23)20-10-6-4-5-7-18(22)24-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyBDOHYIKFEUZFPY-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.31
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

ethyl 7-[(2,6-dimethylquinoline-4-carbonyl)amino]heptanoate
CID 60521634
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
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
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate (CID 31838218) is methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate?
The InChIKey is BDOHYIKFEUZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-8-9-17-15(11-13)16(12-14(2)21-17)19(23)20-10-6-4-5-7-18(22)24-3/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate?
methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate has a molecular weight of 328.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 31838218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).