5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide

C17H24N4O2 — CID 94947311

IUPAC5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCN(C)CCCn1cc(C(=O)N(C)C)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H24N4O2/c1-19(2)9-6-10-21-11-12(17(23)20(3)4)16(22)15-13(18)7-5-8-14(15)21/h5,7-8,11H,6,9-10,18H2,1-4H3
InChIKeyLMUBWLHTXYJDMU-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.24
Rot. Bonds5

About 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide

5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide (PubChem CID 94947311) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
PubChem CID94947311
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
SMILESCN(C)CCCn1cc(C(=O)N(C)C)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H24N4O2/c1-19(2)9-6-10-21-11-12(17(23)20(3)4)16(22)15-13(18)7-5-8-14(15)21/h5,7-8,11H,6,9-10,18H2,1-4H3
InChIKeyLMUBWLHTXYJDMU-UHFFFAOYSA-N
XLogP1.24
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
CID 82212891
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N-butyl-N-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 94947273
4-amino-N-[2-(dimethylamino)ethyl]-N,1-dimethylindole-3-carboxamide
CID 166081815
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
CID 82212701
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide (CID 94947311) is 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide is CN(C)CCCn1cc(C(=O)N(C)C)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is LMUBWLHTXYJDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)9-6-10-21-11-12(17(23)20(3)4)16(22)15-13(18)7-5-8-14(15)21/h5,7-8,11H,6,9-10,18H2,1-4H3.
What are the key properties of 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide?
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).