5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol

C22H28N2O — CID 169030593

IUPAC5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol
SMILESCC(C)(C)c1ccnc(N2CC3CCCCC3c3ccc(O)cc32)c1
InChIInChI=1S/C22H28N2O/c1-22(2,3)16-10-11-23-21(12-16)24-14-15-6-4-5-7-18(15)19-9-8-17(25)13-20(19)24/h8-13,15,18,25H,4-7,14H2,1-3H3
InChIKeyRCCRNRLYSVUPQC-UHFFFAOYSA-N
MW336.48 g/mol
LogP5.51
Rot. Bonds1

About 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol

5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol (PubChem CID 169030593) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol.

Molecular Properties

Compound Name5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol
PubChem CID169030593
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol
SMILESCC(C)(C)c1ccnc(N2CC3CCCCC3c3ccc(O)cc32)c1
InChIInChI=1S/C22H28N2O/c1-22(2,3)16-10-11-23-21(12-16)24-14-15-6-4-5-7-18(15)19-9-8-17(25)13-20(19)24/h8-13,15,18,25H,4-7,14H2,1-3H3
InChIKeyRCCRNRLYSVUPQC-UHFFFAOYSA-N
XLogP5.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol with MolForge

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Related Compounds

2-[4-[Cyclopentyl(methyl)amino]piperidin-1-yl]-4-methylquinolin-7-ol
CID 5307341
4-methyl-2-(4-methylpiperidin-1-yl)-1H-quinolin-5-one
CID 135476890
2-(Benzylamino)-4-methylquinolin-7-ol
CID 135857476
4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135529495
4-Methyl-2-morpholin-4-ylquinolin-7-ol
CID 5307155
2-(4-Cyclohexylpiperazin-1-yl)-4-methylquinolin-5-ol
CID 5309512
7-(Propyl(2-(4-(pyridin-2-yl)piperazin-1-yl)ethyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 46919028
2-[4-(2-Fluorophenyl)piperazin-1-yl]-4-methylquinolin-7-ol
CID 135544635
4-Methyl-2-(2-phenylethylamino)quinolin-7-ol;hydrochloride
CID 135971356
4-[6-(Ethyl-pyridin-4-ylmethyl-amino)-4-phenyl-pyridin-2-yl]-2-methyl-phenol
CID 135987666
2-Methyl-4-[4-phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
CID 135987672
2-[Benzyl(methyl)amino]-4-methylquinolin-7-ol
CID 135522122

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol?
The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol (CID 169030593) is 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol.
What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol?
The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol is CC(C)(C)c1ccnc(N2CC3CCCCC3c3ccc(O)cc32)c1.
What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol?
The InChIKey is RCCRNRLYSVUPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-22(2,3)16-10-11-23-21(12-16)24-14-15-6-4-5-7-18(15)19-9-8-17(25)13-20(19)24/h8-13,15,18,25H,4-7,14H2,1-3H3.
What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol?
5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol has a molecular weight of 336.48 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-pyridinyl)-6a,7,8,9,10,10a-hexahydro-6H-phenanthridin-3-ol is sourced from PubChem (CID 169030593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).