6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

C25H25N3O — CID 10134580

IUPAC6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CCC1C(c1ccc(O)c(C)c1)N2
InChIInChI=1S/C25H25N3O/c1-14-12-16(8-11-22(14)29)24-19-9-6-15-4-2-3-5-18(15)23(19)20-13-17(25(26)27)7-10-21(20)28-24/h2-5,7-8,10-13,19,23-24,28-29H,6,9H2,1H3,(H3,26,27)
InChIKeyHKPZNMIZWMIZOZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.85
Rot. Bonds2

About 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide (PubChem CID 10134580) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide.

Molecular Properties

Compound Name6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
PubChem CID10134580
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CCC1C(c1ccc(O)c(C)c1)N2
InChIInChI=1S/C25H25N3O/c1-14-12-16(8-11-22(14)29)24-19-9-6-15-4-2-3-5-18(15)23(19)20-13-17(25(26)27)7-10-21(20)28-24/h2-5,7-8,10-13,19,23-24,28-29H,6,9H2,1H3,(H3,26,27)
InChIKeyHKPZNMIZWMIZOZ-UHFFFAOYSA-N
XLogP4.85
TPSA82.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide with MolForge

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Related Compounds

4-(3a,4,5,11c-tetrahydro-3H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
CID 2881805
(2R,4R)-2-(4-hydroxyphenyl)-4-methyl-4-phenyl-2,3-dihydro-1H-quinoline-6-carboximidamide
CID 73347555
6-(3-Fluoro-4-hydroxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10271549
6-(2-Fluoro-4-methoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10272399
2-[(2S,4S)-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]phenol
CID 134839601
2-({[4-(3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenyl]imino}methyl)phenol
CID 4433179
6-(3,5-Dibromo-4-hydroxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10119114
6-(3-Ethoxy-4-hydroxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10158666
6-(4-Hydroxynaphthalen-1-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10180378
6-(4-Hydroxy-3,5-dimethylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10272145
6-(4-Hydroxy-3-iodo-5-methoxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 10279836
6-(2-Chloro-4-hydroxyphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide
CID 22633185

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide?
The IUPAC name of 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide (CID 10134580) is 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide.
What is the SMILES notation for 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide?
The canonical SMILES for 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C1c3ccccc3CCC1C(c1ccc(O)c(C)c1)N2.
What is the InChIKey of 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide?
The InChIKey is HKPZNMIZWMIZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-14-12-16(8-11-22(14)29)24-19-9-6-15-4-2-3-5-18(15)23(19)20-13-17(25(26)27)7-10-21(20)28-24/h2-5,7-8,10-13,19,23-24,28-29H,6,9H2,1H3,(H3,26,27).
What are the key properties of 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide?
6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide has a molecular weight of 383.50 g/mol, XLogP of 4.85, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-3-methylphenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide is sourced from PubChem (CID 10134580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).