[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride

C18H26Cl2N4O2 — CID 75469406

IUPAC[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCN(C)CC3CN)c2c1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-12-8-16(15-9-14(24-3)4-5-17(15)20-12)18(23)22-7-6-21(2)11-13(22)10-19;;/h4-5,8-9,13H,6-7,10-11,19H2,1-3H3;2*1H
InChIKeyIBGOPHFNTOEKEN-UHFFFAOYSA-N
MW401.34 g/mol
LogP2.11
Rot. Bonds3

About [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride

[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 75469406) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
PubChem CID75469406
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC Name[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCOc1ccc2nc(C)cc(C(=O)N3CCN(C)CC3CN)c2c1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-12-8-16(15-9-14(24-3)4-5-17(15)20-12)18(23)22-7-6-21(2)11-13(22)10-19;;/h4-5,8-9,13H,6-7,10-11,19H2,1-3H3;2*1H
InChIKeyIBGOPHFNTOEKEN-UHFFFAOYSA-N
XLogP2.11
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride (CID 75469406) is [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride is COc1ccc2nc(C)cc(C(=O)N3CCN(C)CC3CN)c2c1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is IBGOPHFNTOEKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.2ClH/c1-12-8-16(15-9-14(24-3)4-5-17(15)20-12)18(23)22-7-6-21(2)11-13(22)10-19;;/h4-5,8-9,13H,6-7,10-11,19H2,1-3H3;2*1H.
What are the key properties of [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride?
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 401.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 75469406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).