4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide

C16H20N4O — CID 115316995

IUPAC4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCNCC1CCCN1c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C16H20N4O/c1-18-9-11-5-4-8-20(11)15-12-6-2-3-7-14(12)19-10-13(15)16(17)21/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H2,17,21)
InChIKeyVIPRVHJCPMOWMI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.52
Rot. Bonds4

About 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide

4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide (PubChem CID 115316995) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
PubChem CID115316995
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCNCC1CCCN1c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C16H20N4O/c1-18-9-11-5-4-8-20(11)15-12-6-2-3-7-14(12)19-10-13(15)16(17)21/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H2,17,21)
InChIKeyVIPRVHJCPMOWMI-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The IUPAC name of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide (CID 115316995) is 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide is CNCC1CCCN1c1c(C(N)=O)cnc2ccccc12.
What is the InChIKey of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The InChIKey is VIPRVHJCPMOWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-18-9-11-5-4-8-20(11)15-12-6-2-3-7-14(12)19-10-13(15)16(17)21/h2-3,6-7,10-11,18H,4-5,8-9H2,1H3,(H2,17,21).
What are the key properties of 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 115316995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).