N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide

C19H27N3O — CID 55675834

IUPACN-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H27N3O/c1-6-22(7-2)15(5)12-20-19(23)17-11-14(4)21-18-9-8-13(3)10-16(17)18/h8-11,15H,6-7,12H2,1-5H3,(H,20,23)
InChIKeyBAHQAXBSKRJKFS-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide

N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 55675834) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID55675834
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C19H27N3O/c1-6-22(7-2)15(5)12-20-19(23)17-11-14(4)21-18-9-8-13(3)10-16(17)18/h8-11,15H,6-7,12H2,1-5H3,(H,20,23)
InChIKeyBAHQAXBSKRJKFS-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 42907156
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
2-(3,4-dimethylphenyl)-6-methyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 42749695
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide (CID 55675834) is N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is BAHQAXBSKRJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-22(7-2)15(5)12-20-19(23)17-11-14(4)21-18-9-8-13(3)10-16(17)18/h8-11,15H,6-7,12H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide?
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 55675834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).