1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide

C24H29N3O3 — CID 54685643

IUPAC1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)16-10-15-25-23(29)21-22(28)19-13-8-9-14-20(19)27(24(21)30)17-18-11-6-5-7-12-18/h5-9,11-14,28H,3-4,10,15-17H2,1-2H3,(H,25,29)
InChIKeyVXMWLAVPVXEOKV-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.22
Rot. Bonds9

About 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide

1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54685643) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54685643
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H29N3O3/c1-3-26(4-2)16-10-15-25-23(29)21-22(28)19-13-8-9-14-20(19)27(24(21)30)17-18-11-6-5-7-12-18/h5-9,11-14,28H,3-4,10,15-17H2,1-2H3,(H,25,29)
InChIKeyVXMWLAVPVXEOKV-UHFFFAOYSA-N
XLogP3.22
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.22
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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Related Compounds

N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
1-ethyl-N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54686774
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
N-[3-(diethylamino)propyl]-4-[(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)methyl]benzamide
CID 46259571
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54685643) is 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide is CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is VXMWLAVPVXEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-3-26(4-2)16-10-15-25-23(29)21-22(28)19-13-8-9-14-20(19)27(24(21)30)17-18-11-6-5-7-12-18/h5-9,11-14,28H,3-4,10,15-17H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54685643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).