N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide

C16H22N4O — CID 63375251

IUPACN-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NCCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-17-14-11-15(16(21)18-9-6-10-20(2)3)19-13-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyCADQJOTWRXFHEL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide

N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide (PubChem CID 63375251) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
PubChem CID63375251
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)NCCCN(C)C)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-17-14-11-15(16(21)18-9-6-10-20(2)3)19-13-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyCADQJOTWRXFHEL-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)quinoline-2-carboxamide
CID 82940781
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219
4-(methylamino)-N-(1H-pyrazol-4-ylmethyl)quinoline-2-carboxamide
CID 63375555
N-[3-(dimethylamino)propyl]quinazoline-4-carboxamide
CID 110702658
4-(methylamino)-N-(3-methylcyclopentyl)quinoline-2-carboxamide
CID 114540556
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436
4-bromo-N-pentylquinoline-2-carboxamide
CID 178088871
N-(1-amino-2-methyl-1-oxopropan-2-yl)-4-(methylamino)quinoline-2-carboxamide
CID 63375460
4-(ethylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 63963158
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
2-(5-bromothiophen-2-yl)-N-[3-(dimethylamino)propyl]quinoline-4-carboxamide
CID 15991683
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide (CID 63375251) is N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide is CNc1cc(C(=O)NCCCN(C)C)nc2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide?
The InChIKey is CADQJOTWRXFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-14-11-15(16(21)18-9-6-10-20(2)3)19-13-8-5-4-7-12(13)14/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide?
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide is sourced from PubChem (CID 63375251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).