2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one

C22H23NO4 — CID 59527602

IUPAC2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCCC3(O)CC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H23NO4/c1-15-20(23-19-8-3-2-7-18(19)21(15)24)14-27-17-6-4-5-16(13-17)26-12-11-22(25)9-10-22/h2-8,13,25H,9-12,14H2,1H3,(H,23,24)
InChIKeyKALKEGBJKPKQKM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.71
Rot. Bonds7

About 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one

2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one (PubChem CID 59527602) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
PubChem CID59527602
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(COc2cccc(OCCC3(O)CC3)c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C22H23NO4/c1-15-20(23-19-8-3-2-7-18(19)21(15)24)14-27-17-6-4-5-16(13-17)26-12-11-22(25)9-10-22/h2-8,13,25H,9-12,14H2,1H3,(H,23,24)
InChIKeyKALKEGBJKPKQKM-UHFFFAOYSA-N
XLogP3.71
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one (CID 59527602) is 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one is Cc1c(COc2cccc(OCCC3(O)CC3)c2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is KALKEGBJKPKQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-15-20(23-19-8-3-2-7-18(19)21(15)24)14-27-17-6-4-5-16(13-17)26-12-11-22(25)9-10-22/h2-8,13,25H,9-12,14H2,1H3,(H,23,24).
What are the key properties of 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one?
2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 59527602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).