(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one

C18H19NO — CID 706826

IUPAC(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one
SMILESC[C@@]12CCCC[C@@H]1c1c(ccc3ccccc13)C(=O)N2
InChIInChI=1S/C18H19NO/c1-18-11-5-4-8-15(18)16-13-7-3-2-6-12(13)9-10-14(16)17(20)19-18/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3,(H,19,20)/t15-,18-/m1/s1
InChIKeyWATQVSNWFYICCW-CRAIPNDOSA-N
MW265.36 g/mol
LogP4.00
Rot. Bonds

About (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one

(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one (PubChem CID 706826) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one.

Molecular Properties

Compound Name(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one
PubChem CID706826
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one
SMILESC[C@@]12CCCC[C@@H]1c1c(ccc3ccccc13)C(=O)N2
InChIInChI=1S/C18H19NO/c1-18-11-5-4-8-15(18)16-13-7-3-2-6-12(13)9-10-14(16)17(20)19-18/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3,(H,19,20)/t15-,18-/m1/s1
InChIKeyWATQVSNWFYICCW-CRAIPNDOSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one with MolForge

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Related Compounds

(4aS,10bS)-4a-methyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-one
CID 706828
(1S)-1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]
CID 7390381
1-methylspiro[2,4-dihydro-1H-benzo[f]quinoline-3,1'-cyclohexane]
CID 3123749
1-cyclohexyl-2-(1-methylcycloprop-2-en-1-yl)naphthalene
CID 163489570
1,2,2-trimethyl-1,3-dihydrobenzo[e]indole
CID 66825779
ethyl (2Z)-2-(4a,7,10-trimethyl-1,2,3,4,5,10b-hexahydrophenanthridin-6-ylidene)acetate
CID 5293291
(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
CID 6936217
naphtho[2,1-e]isoindole-1,3-dione
CID 87830454
cis-(1R,2R)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139706022
cis-(1S,2S)-2-(2-methylnaphthalen-1-yl)cyclohexan-1-ol
CID 139705882
3,4-dihydro-1H-benzo[i][1,4]benzodiazepine-2,5-dione
CID 11117738
spiro[benzo[a]fluorene-11,1'-cyclononane]
CID 143254805

Frequently Asked Questions

What is the IUPAC name of (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one?
The IUPAC name of (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one (CID 706826) is (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one.
What is the SMILES notation for (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one?
The canonical SMILES for (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one is C[C@@]12CCCC[C@@H]1c1c(ccc3ccccc13)C(=O)N2.
What is the InChIKey of (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one?
The InChIKey is WATQVSNWFYICCW-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H19NO/c1-18-11-5-4-8-15(18)16-13-7-3-2-6-12(13)9-10-14(16)17(20)19-18/h2-3,6-7,9-10,15H,4-5,8,11H2,1H3,(H,19,20)/t15-,18-/m1/s1.
What are the key properties of (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one?
(4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one has a molecular weight of 265.36 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,12cR)-4a-methyl-1,2,3,4,5,12c-hexahydrobenzo[k]phenanthridin-6-one is sourced from PubChem (CID 706826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).