3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C17H24ClN3O2 — CID 119577735

IUPAC3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC1CN(C(=O)CCC2Cc3ccccc3NC2=O)CCN1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-12-11-20(9-8-18-12)16(21)7-6-14-10-13-4-2-3-5-15(13)19-17(14)22;/h2-5,12,14,18H,6-11H2,1H3,(H,19,22);1H
InChIKeyONVJQQHEVZFUDW-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.82
Rot. Bonds3

About 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 119577735) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID119577735
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCC1CN(C(=O)CCC2Cc3ccccc3NC2=O)CCN1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-12-11-20(9-8-18-12)16(21)7-6-14-10-13-4-2-3-5-15(13)19-17(14)22;/h2-5,12,14,18H,6-11H2,1H3,(H,19,22);1H
InChIKeyONVJQQHEVZFUDW-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 119577735) is 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is CC1CN(C(=O)CCC2Cc3ccccc3NC2=O)CCN1.Cl.
What is the InChIKey of 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is ONVJQQHEVZFUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-12-11-20(9-8-18-12)16(21)7-6-14-10-13-4-2-3-5-15(13)19-17(14)22;/h2-5,12,14,18H,6-11H2,1H3,(H,19,22);1H.
What are the key properties of 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119577735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).