2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one

C24H27NO3 — CID 166530031

IUPAC2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
SMILESCCCc1ccc(-c2ccc3c(=O)cc(OCC4CCCCO4)[nH]c3c2)cc1
InChIInChI=1S/C24H27NO3/c1-2-5-17-7-9-18(10-8-17)19-11-12-21-22(14-19)25-24(15-23(21)26)28-16-20-6-3-4-13-27-20/h7-12,14-15,20H,2-6,13,16H2,1H3,(H,25,26)
InChIKeyHNSPYEPDDVVQMC-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.10
Rot. Bonds6

About 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one

2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one (PubChem CID 166530031) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
PubChem CID166530031
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
SMILESCCCc1ccc(-c2ccc3c(=O)cc(OCC4CCCCO4)[nH]c3c2)cc1
InChIInChI=1S/C24H27NO3/c1-2-5-17-7-9-18(10-8-17)19-11-12-21-22(14-19)25-24(15-23(21)26)28-16-20-6-3-4-13-27-20/h7-12,14-15,20H,2-6,13,16H2,1H3,(H,25,26)
InChIKeyHNSPYEPDDVVQMC-UHFFFAOYSA-N
XLogP5.10
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
CID 166529801
3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530038
3-butyl-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530053
6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
CID 166529992
3-(1-methylpyrrol-3-yl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166529871
3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530024
methyl 2-[4-[6-[[(2R)-oxan-2-yl]methoxy]-4-oxo-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-3-yl]phenoxy]acetate
CID 166530000
2-[2-(4-ethoxyphenyl)ethynyl]-6-(oxan-2-ylmethoxy)-4-oxo-1H-pyridine-3-carbonitrile
CID 176645116
3-methyl-6-(oxan-2-ylmethoxy)-4-phenylmethoxy-2-[2-(4-propylphenyl)ethyl]pyridine
CID 166529965
4-butoxy-7-(4-ethoxyphenyl)-2-(oxan-2-ylmethoxy)quinoline
CID 176645125
3-(oxan-2-yl)-1-(4-propylphenyl)propan-1-one
CID 63952320
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one (CID 166530031) is 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one is CCCc1ccc(-c2ccc3c(=O)cc(OCC4CCCCO4)[nH]c3c2)cc1.
What is the InChIKey of 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one?
The InChIKey is HNSPYEPDDVVQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-2-5-17-7-9-18(10-8-17)19-11-12-21-22(14-19)25-24(15-23(21)26)28-16-20-6-3-4-13-27-20/h7-12,14-15,20H,2-6,13,16H2,1H3,(H,25,26).
What are the key properties of 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one?
2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one has a molecular weight of 377.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 166530031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).