N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

C19H28ClN3O5 — CID 54733002

IUPACN-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.Cl
InChIInChI=1S/C19H27N3O5.ClH/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25;/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25);1H
InChIKeyHZAKDWDRNQTPDB-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.13
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride

N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (PubChem CID 54733002) has the molecular formula C19H28ClN3O5 and a molecular weight of 413.90 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
PubChem CID54733002
Molecular FormulaC19H28ClN3O5
Molecular Weight413.90 g/mol
Exact Mass413.17
IUPAC NameN-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.Cl
InChIInChI=1S/C19H27N3O5.ClH/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25;/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25);1H
InChIKeyHZAKDWDRNQTPDB-UHFFFAOYSA-N
XLogP2.13
TPSA103.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-hydroxypropyl)-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682415
3-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]propyl-dimethylazanium
CID 54675903
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
CID 54675917
4-hydroxy-6,7-dimethoxy-2-oxo-N-(2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 54675898
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54682420
N-[(2-fluorophenyl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 54703015
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
6,8-dibromo-N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54707079
butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 54682431
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
prop-2-enyl 4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylate
CID 54732863

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride (CID 54733002) is N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is CCN(CC)CCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
The InChIKey is HZAKDWDRNQTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5.ClH/c1-5-22(6-2)9-7-8-20-18(24)16-17(23)12-10-14(26-3)15(27-4)11-13(12)21-19(16)25;/h10-11H,5-9H2,1-4H3,(H,20,24)(H2,21,23,25);1H.
What are the key properties of N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 54733002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).