8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

C20H20F2N2O3 — CID 67342483

IUPAC8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOc1cc2c(cc1OC(F)F)C(c1cccnc1)=NC1CCC(O)CC21
InChIInChI=1S/C20H20F2N2O3/c1-26-17-8-13-14-7-12(25)4-5-16(14)24-19(11-3-2-6-23-10-11)15(13)9-18(17)27-20(21)22/h2-3,6,8-10,12,14,16,20,25H,4-5,7H2,1H3
InChIKeyCCHVMKNBNULRBB-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.54
Rot. Bonds4

About 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 67342483) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID67342483
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCOc1cc2c(cc1OC(F)F)C(c1cccnc1)=NC1CCC(O)CC21
InChIInChI=1S/C20H20F2N2O3/c1-26-17-8-13-14-7-12(25)4-5-16(14)24-19(11-3-2-6-23-10-11)15(13)9-18(17)27-20(21)22/h2-3,6,8-10,12,14,16,20,25H,4-5,7H2,1H3
InChIKeyCCHVMKNBNULRBB-UHFFFAOYSA-N
XLogP3.54
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 67342483) is 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is COc1cc2c(cc1OC(F)F)C(c1cccnc1)=NC1CCC(O)CC21.
What is the InChIKey of 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is CCHVMKNBNULRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-26-17-8-13-14-7-12(25)4-5-16(14)24-19(11-3-2-6-23-10-11)15(13)9-18(17)27-20(21)22/h2-3,6,8-10,12,14,16,20,25H,4-5,7H2,1H3.
What are the key properties of 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 374.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-9-methoxy-6-pyridin-3-yl-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 67342483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).