N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride

C15H20ClN3O3 — CID 56684063

IUPACN-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-3-16-8-9-17-14(20)12-13(19)10-6-4-5-7-11(10)18(2)15(12)21;/h4-7,16,19H,3,8-9H2,1-2H3,(H,17,20);1H
InChIKeyIWZPPMDXVJTQME-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride (PubChem CID 56684063) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
PubChem CID56684063
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl
InChIInChI=1S/C15H19N3O3.ClH/c1-3-16-8-9-17-14(20)12-13(19)10-6-4-5-7-11(10)18(2)15(12)21;/h4-7,16,19H,3,8-9H2,1-2H3,(H,17,20);1H
InChIKeyIWZPPMDXVJTQME-UHFFFAOYSA-N
XLogP1.01
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.01
H-Bond Donors ≤ 53
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-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride (CID 56684063) is N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride is CCNCCNC(=O)c1c(O)c2ccccc2n(C)c1=O.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
The InChIKey is IWZPPMDXVJTQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.ClH/c1-3-16-8-9-17-14(20)12-13(19)10-6-4-5-7-11(10)18(2)15(12)21;/h4-7,16,19H,3,8-9H2,1-2H3,(H,17,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 56684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).