[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

C14H16N4O — CID 62875893

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESNCC1CCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C14H16N4O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9,15H2
InChIKeyKKVOTPGYRLFZMB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.05
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 62875893) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID62875893
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESNCC1CCN(C(=O)c2ccc3nccnc3c2)C1
InChIInChI=1S/C14H16N4O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9,15H2
InChIKeyKKVOTPGYRLFZMB-UHFFFAOYSA-N
XLogP1.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone 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

[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[2-(aminomethyl)-4-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 80503980
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 62069448
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (CID 62875893) is [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is NCC1CCN(C(=O)c2ccc3nccnc3c2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is KKVOTPGYRLFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9,15H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 62875893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).