7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one

C22H23NO3 — CID 21287485

IUPAC7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one
SMILESCC1CNCCCC1Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C22H23NO3/c1-15-14-23-11-5-8-20(15)25-17-9-10-18-19(24)13-21(26-22(18)12-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,20,23H,5,8,11,14H2,1H3
InChIKeyHHRILKFNGILKFR-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.23
Rot. Bonds3

About 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one

7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one (PubChem CID 21287485) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one
PubChem CID21287485
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one
SMILESCC1CNCCCC1Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C22H23NO3/c1-15-14-23-11-5-8-20(15)25-17-9-10-18-19(24)13-21(26-22(18)12-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,20,23H,5,8,11,14H2,1H3
InChIKeyHHRILKFNGILKFR-UHFFFAOYSA-N
XLogP4.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one?
The IUPAC name of 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one (CID 21287485) is 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one?
The canonical SMILES for 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one is CC1CNCCCC1Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one?
The InChIKey is HHRILKFNGILKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15-14-23-11-5-8-20(15)25-17-9-10-18-19(24)13-21(26-22(18)12-17)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,15,20,23H,5,8,11,14H2,1H3.
What are the key properties of 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one?
7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylazepan-4-yl)oxy-2-phenylchromen-4-one is sourced from PubChem (CID 21287485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).