N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride

C20H34ClN3O3 — CID 54707976

IUPACN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c2c(c(O)c(C(=O)NCCCN(CC)CC)c1=O)CCCC2.Cl
InChIInChI=1S/C20H33N3O3.ClH/c1-4-13-23-16-11-8-7-10-15(16)18(24)17(20(23)26)19(25)21-12-9-14-22(5-2)6-3;/h24H,4-14H2,1-3H3,(H,21,25);1H
InChIKeyJIRMMOBATYCZPA-UHFFFAOYSA-N
MW399.96 g/mol
LogP2.73
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride

N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride (PubChem CID 54707976) has the molecular formula C20H34ClN3O3 and a molecular weight of 399.96 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride
PubChem CID54707976
Molecular FormulaC20H34ClN3O3
Molecular Weight399.96 g/mol
Exact Mass399.23
IUPAC NameN-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride
SMILESCCCn1c2c(c(O)c(C(=O)NCCCN(CC)CC)c1=O)CCCC2.Cl
InChIInChI=1S/C20H33N3O3.ClH/c1-4-13-23-16-11-8-7-10-15(16)18(24)17(20(23)26)19(25)21-12-9-14-22(5-2)6-3;/h24H,4-14H2,1-3H3,(H,21,25);1H
InChIKeyJIRMMOBATYCZPA-UHFFFAOYSA-N
XLogP2.73
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.96
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride (CID 54707976) is N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride is CCCn1c2c(c(O)c(C(=O)NCCCN(CC)CC)c1=O)CCCC2.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride?
The InChIKey is JIRMMOBATYCZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3.ClH/c1-4-13-23-16-11-8-7-10-15(16)18(24)17(20(23)26)19(25)21-12-9-14-22(5-2)6-3;/h24H,4-14H2,1-3H3,(H,21,25);1H.
What are the key properties of N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-hydroxy-2-oxo-1-propyl-5,6,7,8-tetrahydroquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54707976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).