3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one

C20H15NO2 — CID 54184234

IUPAC3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one
SMILESO=c1c(C2=CCCC=N2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H15NO2/c22-19-15-10-4-5-12-17(15)23-20(14-8-2-1-3-9-14)18(19)16-11-6-7-13-21-16/h1-5,8-13H,6-7H2
InChIKeyPDZACTGSCKVGCG-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.67
Rot. Bonds2

About 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one

3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one (PubChem CID 54184234) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one
PubChem CID54184234
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one
SMILESO=c1c(C2=CCCC=N2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C20H15NO2/c22-19-15-10-4-5-12-17(15)23-20(14-8-2-1-3-9-14)18(19)16-11-6-7-13-21-16/h1-5,8-13H,6-7H2
InChIKeyPDZACTGSCKVGCG-UHFFFAOYSA-N
XLogP4.67
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one?
The IUPAC name of 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one (CID 54184234) is 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one?
The canonical SMILES for 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one is O=c1c(C2=CCCC=N2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one?
The InChIKey is PDZACTGSCKVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-19-15-10-4-5-12-17(15)23-20(14-8-2-1-3-9-14)18(19)16-11-6-7-13-21-16/h1-5,8-13H,6-7H2.
What are the key properties of 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one?
3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one has a molecular weight of 301.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-6-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 54184234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).