6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide

C16H19N3O3 — CID 165399845

IUPAC6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide
SMILESCNCCCOc1ccc2nccc(C(=O)NCC=O)c2c1
InChIInChI=1S/C16H19N3O3/c1-17-6-2-10-22-12-3-4-15-14(11-12)13(5-7-18-15)16(21)19-8-9-20/h3-5,7,9,11,17H,2,6,8,10H2,1H3,(H,19,21)
InChIKeyBPNHBUAXPGIMOY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.15
Rot. Bonds8

About 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide

6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide (PubChem CID 165399845) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide
PubChem CID165399845
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide
SMILESCNCCCOc1ccc2nccc(C(=O)NCC=O)c2c1
InChIInChI=1S/C16H19N3O3/c1-17-6-2-10-22-12-3-4-15-14(11-12)13(5-7-18-15)16(21)19-8-9-20/h3-5,7,9,11,17H,2,6,8,10H2,1H3,(H,19,21)
InChIKeyBPNHBUAXPGIMOY-UHFFFAOYSA-N
XLogP1.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-(cyclohexanecarbonylamino)ethoxy]phenyl]-N-(2-oxoethyl)quinoline-4-carboxamide
CID 177034183
2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carbonyl]amino]acetic acid
CID 146810072
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
6-[3-[4-(5-oxopentanoyl)piperazin-1-yl]propoxy]-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 139406838
6-butoxyquinoline-4-carbaldehyde
CID 178020180
6-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]quinoline-4-carboxylic acid
CID 175982513
7-anilino-N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723428
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276
tert-butyl N-[3-[4-[[2-(2-isocyanopyrrolidin-1-yl)-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]carbamate
CID 172528178
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide?
The IUPAC name of 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide (CID 165399845) is 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide is CNCCCOc1ccc2nccc(C(=O)NCC=O)c2c1.
What is the InChIKey of 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide?
The InChIKey is BPNHBUAXPGIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-17-6-2-10-22-12-3-4-15-14(11-12)13(5-7-18-15)16(21)19-8-9-20/h3-5,7,9,11,17H,2,6,8,10H2,1H3,(H,19,21).
What are the key properties of 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide?
6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methylamino)propoxy]-N-(2-oxoethyl)quinoline-4-carboxamide is sourced from PubChem (CID 165399845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).