2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide

C18H24N2O — CID 55370471

IUPAC2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C18H24N2O/c1-5-9-20(10-6-2)18(21)16-12-14(4)19-17-8-7-13(3)11-15(16)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeySHSHIGVLOBJXFG-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.11
Rot. Bonds5

About 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide

2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide (PubChem CID 55370471) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
PubChem CID55370471
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C18H24N2O/c1-5-9-20(10-6-2)18(21)16-12-14(4)19-17-8-7-13(3)11-15(16)17/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeySHSHIGVLOBJXFG-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide (CID 55370471) is 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide?
The InChIKey is SHSHIGVLOBJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-9-20(10-6-2)18(21)16-12-14(4)19-17-8-7-13(3)11-15(16)17/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide?
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide is sourced from PubChem (CID 55370471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).