N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H27N3O3 — CID 54684656

IUPACN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H27N3O3/c1-3-20(4-2)11-7-10-18-16(22)14-15(21)12-8-5-6-9-13(12)19-17(14)23/h3-11H2,1-2H3,(H,18,22)(H2,19,21,23)
InChIKeyRZRIHGNVJICEAP-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.42
Rot. Bonds7

About N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54684656) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54684656
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H27N3O3/c1-3-20(4-2)11-7-10-18-16(22)14-15(21)12-8-5-6-9-13(12)19-17(14)23/h3-11H2,1-2H3,(H,18,22)(H2,19,21,23)
InChIKeyRZRIHGNVJICEAP-UHFFFAOYSA-N
XLogP1.42
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54684656) is N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCN(CC)CCCNC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RZRIHGNVJICEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-20(4-2)11-7-10-18-16(22)14-15(21)12-8-5-6-9-13(12)19-17(14)23/h3-11H2,1-2H3,(H,18,22)(H2,19,21,23).
What are the key properties of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).