10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

C20H22ClN3O2 — CID 119632340

IUPAC10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCl.NCC1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O2.ClH/c21-12-14-6-5-11-22(14)19(24)13-23-17-9-3-1-7-15(17)20(25)16-8-2-4-10-18(16)23;/h1-4,7-10,14H,5-6,11-13,21H2;1H
InChIKeyVCAPSSRHFNYRFZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.53
Rot. Bonds3

About 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride

10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (PubChem CID 119632340) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.

Molecular Properties

Compound Name10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
PubChem CID119632340
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
SMILESCl.NCC1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21
InChIInChI=1S/C20H21N3O2.ClH/c21-12-14-6-5-11-22(14)19(24)13-23-17-9-3-1-7-15(17)20(25)16-8-2-4-10-18(16)23;/h1-4,7-10,14H,5-6,11-13,21H2;1H
InChIKeyVCAPSSRHFNYRFZ-UHFFFAOYSA-N
XLogP2.53
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one;hydrochloride
CID 119469480
3-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119469481
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119468460
2-[4-[2-(9-oxoacridin-10-yl)acetyl]thiomorpholin-3-yl]acetic acid
CID 120520582
10-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]acridin-9-one
CID 119489974
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119633290
10-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119662758
10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
CID 119471378
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The IUPAC name of 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride (CID 119632340) is 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride.
What is the SMILES notation for 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The canonical SMILES for 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is Cl.NCC1CCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21.
What is the InChIKey of 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
The InChIKey is VCAPSSRHFNYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.ClH/c21-12-14-6-5-11-22(14)19(24)13-23-17-9-3-1-7-15(17)20(25)16-8-2-4-10-18(16)23;/h1-4,7-10,14H,5-6,11-13,21H2;1H.
What are the key properties of 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride?
10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride has a molecular weight of 371.87 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride is sourced from PubChem (CID 119632340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).