2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide

C15H18N4O — CID 103577370

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide
SMILESCC1CN(c2nc3ccccc3cc2C(N)=O)CC1N
InChIInChI=1S/C15H18N4O/c1-9-7-19(8-12(9)16)15-11(14(17)20)6-10-4-2-3-5-13(10)18-15/h2-6,9,12H,7-8,16H2,1H3,(H2,17,20)
InChIKeyLJPADZUUETWGNU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.12
Rot. Bonds2

About 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide

2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide (PubChem CID 103577370) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide
PubChem CID103577370
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide
SMILESCC1CN(c2nc3ccccc3cc2C(N)=O)CC1N
InChIInChI=1S/C15H18N4O/c1-9-7-19(8-12(9)16)15-11(14(17)20)6-10-4-2-3-5-13(10)18-15/h2-6,9,12H,7-8,16H2,1H3,(H2,17,20)
InChIKeyLJPADZUUETWGNU-UHFFFAOYSA-N
XLogP1.12
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide (CID 103577370) is 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide is CC1CN(c2nc3ccccc3cc2C(N)=O)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide?
The InChIKey is LJPADZUUETWGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-7-19(8-12(9)16)15-11(14(17)20)6-10-4-2-3-5-13(10)18-15/h2-6,9,12H,7-8,16H2,1H3,(H2,17,20).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide?
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 103577370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).