7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C25H32ClN3O3 — CID 45264809

IUPAC7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2.Cl
InChIInChI=1S/C25H31N3O3.ClH/c1-27(13-10-18-6-4-3-5-7-18)20-11-14-28(15-12-20)25(30)21-16-19-8-9-24(29)26-22(19)17-23(21)31-2;/h3-7,16-17,20H,8-15H2,1-2H3,(H,26,29);1H
InChIKeyIWEBKFHTUSHGFK-UHFFFAOYSA-N
MW458.00 g/mol
LogP3.78
Rot. Bonds6

About 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride

7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 45264809) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID45264809
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC Name7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCOc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2.Cl
InChIInChI=1S/C25H31N3O3.ClH/c1-27(13-10-18-6-4-3-5-7-18)20-11-14-28(15-12-20)25(30)21-16-19-8-9-24(29)26-22(19)17-23(21)31-2;/h3-7,16-17,20H,8-15H2,1-2H3,(H,26,29);1H
InChIKeyIWEBKFHTUSHGFK-UHFFFAOYSA-N
XLogP3.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 45264809) is 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is COc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2.Cl.
What is the InChIKey of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is IWEBKFHTUSHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3.ClH/c1-27(13-10-18-6-4-3-5-7-18)20-11-14-28(15-12-20)25(30)21-16-19-8-9-24(29)26-22(19)17-23(21)31-2;/h3-7,16-17,20H,8-15H2,1-2H3,(H,26,29);1H.
What are the key properties of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 458.00 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 45264809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).