2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride

C20H30ClN3O2 — CID 521951

IUPAC2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
InChIKeyIVHBBMHQKZBJEU-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.91
Rot. Bonds10

About 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride

2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride (PubChem CID 521951) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
PubChem CID521951
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride
SMILESCCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H
InChIKeyIVHBBMHQKZBJEU-UHFFFAOYSA-N
XLogP3.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride (CID 521951) is 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride is CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl.
What is the InChIKey of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride?
The InChIKey is IVHBBMHQKZBJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H.
What are the key properties of 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride?
2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 521951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).