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

C16H20N4O — CID 63267311

IUPAC4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCNCC1CCN(c2c(C(N)=O)cnc3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-18-8-11-6-7-20(10-11)15-12-4-2-3-5-14(12)19-9-13(15)16(17)21/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,21)
InChIKeyJTRYGLRVODUEPU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.38
Rot. Bonds4

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

4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide (PubChem CID 63267311) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
PubChem CID63267311
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
SMILESCNCC1CCN(c2c(C(N)=O)cnc3ccccc23)C1
InChIInChI=1S/C16H20N4O/c1-18-8-11-6-7-20(10-11)15-12-4-2-3-5-14(12)19-9-13(15)16(17)21/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,21)
InChIKeyJTRYGLRVODUEPU-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 115316995
2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
CID 64617657
2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzamide
CID 55167908
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-3-amine
CID 103963369
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-3-carboximidamide
CID 43669800
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
4-(3-methoxypiperidin-1-yl)quinoline-3-carbothioamide
CID 102957995
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carboxylic acid
CID 64622914
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-nitrobenzamide
CID 63267846

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The IUPAC name of 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide (CID 63267311) is 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide is CNCC1CCN(c2c(C(N)=O)cnc3ccccc23)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
The InChIKey is JTRYGLRVODUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-18-8-11-6-7-20(10-11)15-12-4-2-3-5-14(12)19-9-13(15)16(17)21/h2-5,9,11,18H,6-8,10H2,1H3,(H2,17,21).
What are the key properties of 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide?
4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 63267311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).