(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone

C22H17F2NO2 — CID 68815094

IUPAC(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3cc(F)ccc3-c3ccc(F)cc3C2C)cc1
InChIInChI=1S/C22H17F2NO2/c1-13-20-11-15(23)5-9-18(20)19-10-6-16(24)12-21(19)25(13)22(26)14-3-7-17(27-2)8-4-14/h3-13H,1-2H3
InChIKeyFZJOERWRMSSLAQ-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.36
Rot. Bonds2

About (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone

(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone (PubChem CID 68815094) has the molecular formula C22H17F2NO2 and a molecular weight of 365.38 g/mol. Its IUPAC name is (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone
PubChem CID68815094
Molecular FormulaC22H17F2NO2
Molecular Weight365.38 g/mol
Exact Mass365.12
IUPAC Name(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3cc(F)ccc3-c3ccc(F)cc3C2C)cc1
InChIInChI=1S/C22H17F2NO2/c1-13-20-11-15(23)5-9-18(20)19-10-6-16(24)12-21(19)25(13)22(26)14-3-7-17(27-2)8-4-14/h3-13H,1-2H3
InChIKeyFZJOERWRMSSLAQ-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone (CID 68815094) is (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3cc(F)ccc3-c3ccc(F)cc3C2C)cc1.
What is the InChIKey of (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone?
The InChIKey is FZJOERWRMSSLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO2/c1-13-20-11-15(23)5-9-18(20)19-10-6-16(24)12-21(19)25(13)22(26)14-3-7-17(27-2)8-4-14/h3-13H,1-2H3.
What are the key properties of (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone?
(3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone has a molecular weight of 365.38 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,8-difluoro-6-methyl-6H-phenanthridin-5-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 68815094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).