4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one

C22H22N2O3 — CID 46230055

IUPAC4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCCC4)c3)cc12
InChIInChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)
InChIKeyPGEHSPSEYJVHIZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.65
Rot. Bonds4

About 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one

4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (PubChem CID 46230055) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
PubChem CID46230055
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCCC4)c3)cc12
InChIInChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25)
InChIKeyPGEHSPSEYJVHIZ-UHFFFAOYSA-N
XLogP3.65
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
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CID 25266341
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382
5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The IUPAC name of 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one (CID 46230055) is 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The canonical SMILES for 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCCC4)c3)cc12.
What is the InChIKey of 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
The InChIKey is PGEHSPSEYJVHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-11-21(25)23-20-8-7-18(13-19(15)20)27-14-16-5-4-6-17(12-16)22(26)24-9-2-3-10-24/h4-8,11-13H,2-3,9-10,14H2,1H3,(H,23,25).
What are the key properties of 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one?
4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one has a molecular weight of 362.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[3-(pyrrolidine-1-carbonyl)phenyl]methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 46230055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).