N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide

C20H25N3O2 — CID 119052254

IUPACN-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide
SMILESCC(=O)N1CCC(CN(C)C(=O)c2cc(C)cc3c(C)ccnc23)C1
InChIInChI=1S/C20H25N3O2/c1-13-9-17-14(2)5-7-21-19(17)18(10-13)20(25)22(4)11-16-6-8-23(12-16)15(3)24/h5,7,9-10,16H,6,8,11-12H2,1-4H3
InChIKeyLBCXSIBGLRZTJW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds3

About N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide

N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide (PubChem CID 119052254) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide
PubChem CID119052254
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide
SMILESCC(=O)N1CCC(CN(C)C(=O)c2cc(C)cc3c(C)ccnc23)C1
InChIInChI=1S/C20H25N3O2/c1-13-9-17-14(2)5-7-21-19(17)18(10-13)20(25)22(4)11-16-6-8-23(12-16)15(3)24/h5,7,9-10,16H,6,8,11-12H2,1-4H3
InChIKeyLBCXSIBGLRZTJW-UHFFFAOYSA-N
XLogP2.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide?
The IUPAC name of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide (CID 119052254) is N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide.
What is the SMILES notation for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide?
The canonical SMILES for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide is CC(=O)N1CCC(CN(C)C(=O)c2cc(C)cc3c(C)ccnc23)C1.
What is the InChIKey of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide?
The InChIKey is LBCXSIBGLRZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-9-17-14(2)5-7-21-19(17)18(10-13)20(25)22(4)11-16-6-8-23(12-16)15(3)24/h5,7,9-10,16H,6,8,11-12H2,1-4H3.
What are the key properties of N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide?
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpyrrolidin-3-yl)methyl]-N,4,6-trimethylquinoline-8-carboxamide is sourced from PubChem (CID 119052254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).