7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one

C25H29N3O3 — CID 10993489

IUPAC7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)ccc2cc1C(=O)N1CCC(N(C)CCc2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/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/h3-9,16-17,20H,10-15H2,1-2H3,(H,26,29)
InChIKeyUYRYXNJYWSUANN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.32
Rot. Bonds6

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

7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 10993489) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID10993489
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)ccc2cc1C(=O)N1CCC(N(C)CCc2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/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/h3-9,16-17,20H,10-15H2,1-2H3,(H,26,29)
InChIKeyUYRYXNJYWSUANN-UHFFFAOYSA-N
XLogP3.32
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.32
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]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one (CID 10993489) is 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one is COc1cc2[nH]c(=O)ccc2cc1C(=O)N1CCC(N(C)CCc2ccccc2)CC1.
What is the InChIKey of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is UYRYXNJYWSUANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/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/h3-9,16-17,20H,10-15H2,1-2H3,(H,26,29).
What are the key properties of 7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one?
7-methoxy-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 419.53 g/mol, XLogP of 3.32, 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]-1H-quinolin-2-one is sourced from PubChem (CID 10993489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).