6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one

C22H23NO3 — CID 21287397

IUPAC6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one
SMILESCNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CC1
InChIInChI=1S/C22H23NO3/c1-23-12-11-20(16-7-8-16)25-17-9-10-21-18(13-17)19(24)14-22(26-21)15-5-3-2-4-6-15/h2-6,9-10,13-14,16,20,23H,7-8,11-12H2,1H3
InChIKeyYISUDLLMCXCIAW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.23
Rot. Bonds7

About 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one

6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one (PubChem CID 21287397) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one
PubChem CID21287397
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one
SMILESCNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CC1
InChIInChI=1S/C22H23NO3/c1-23-12-11-20(16-7-8-16)25-17-9-10-21-18(13-17)19(24)14-22(26-21)15-5-3-2-4-6-15/h2-6,9-10,13-14,16,20,23H,7-8,11-12H2,1H3
InChIKeyYISUDLLMCXCIAW-UHFFFAOYSA-N
XLogP4.23
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one?
The IUPAC name of 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one (CID 21287397) is 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one?
The canonical SMILES for 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one is CNCCC(Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CC1.
What is the InChIKey of 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one?
The InChIKey is YISUDLLMCXCIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-23-12-11-20(16-7-8-16)25-17-9-10-21-18(13-17)19(24)14-22(26-21)15-5-3-2-4-6-15/h2-6,9-10,13-14,16,20,23H,7-8,11-12H2,1H3.
What are the key properties of 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one?
6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one has a molecular weight of 349.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-cyclopropyl-3-(methylamino)propoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 21287397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).