2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one

C20H20N2O3 — CID 56645525

IUPAC2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-25-20-10-13(4-7-18(20)23)17-12-19(24)15-11-14(5-6-16(15)21-17)22-8-2-3-9-22/h4-7,10-12,23H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyDIDHNLFUEKGBBF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one

2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (PubChem CID 56645525) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
PubChem CID56645525
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)ccc1O
InChIInChI=1S/C20H20N2O3/c1-25-20-10-13(4-7-18(20)23)17-12-19(24)15-11-14(5-6-16(15)21-17)22-8-2-3-9-22/h4-7,10-12,23H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyDIDHNLFUEKGBBF-UHFFFAOYSA-N
XLogP3.51
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one (CID 56645525) is 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one is COc1cc(-c2cc(=O)c3cc(N4CCCC4)ccc3[nH]2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
The InChIKey is DIDHNLFUEKGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-20-10-13(4-7-18(20)23)17-12-19(24)15-11-14(5-6-16(15)21-17)22-8-2-3-9-22/h4-7,10-12,23H,2-3,8-9H2,1H3,(H,21,24).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one?
2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one has a molecular weight of 336.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 56645525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).