N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide

C15H19N3O2 — CID 110694434

IUPACN-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(2)9-5-8-16-15(20)12-10-14(19)17-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMBOAZNQPHLRGMC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.21
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide

N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 110694434) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID110694434
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-18(2)9-5-8-16-15(20)12-10-14(19)17-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMBOAZNQPHLRGMC-UHFFFAOYSA-N
XLogP1.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-7H-benzo[c]carbazole-5-carboxamide
CID 86566487
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
ethyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 37262146
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72877016
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166319507
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide (CID 110694434) is N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)CCCNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is MBOAZNQPHLRGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)9-5-8-16-15(20)12-10-14(19)17-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 110694434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).