6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one

C25H23NO2 — CID 67945980

IUPAC6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
SMILESCOc1ccc2c(c1)C1c3ccccc3C(=O)N(Cc3ccccc3)C1CC2
InChIInChI=1S/C25H23NO2/c1-28-19-13-11-18-12-14-23-24(22(18)15-19)20-9-5-6-10-21(20)25(27)26(23)16-17-7-3-2-4-8-17/h2-11,13,15,23-24H,12,14,16H2,1H3
InChIKeyDIKGNVVCALKAEC-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.80
Rot. Bonds3

About 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one

6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one (PubChem CID 67945980) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one.

Molecular Properties

Compound Name6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
PubChem CID67945980
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
SMILESCOc1ccc2c(c1)C1c3ccccc3C(=O)N(Cc3ccccc3)C1CC2
InChIInChI=1S/C25H23NO2/c1-28-19-13-11-18-12-14-23-24(22(18)15-19)20-9-5-6-10-21(20)25(27)26(23)16-17-7-3-2-4-8-17/h2-11,13,15,23-24H,12,14,16H2,1H3
InChIKeyDIKGNVVCALKAEC-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6aR,12bS)-6-benzyl-10,11-dimethoxy-2-methyl-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one
CID 22853653
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CID 14039984
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
2-benzyl-3-(3,5-dimethoxyanilino)-3H-isoindol-1-one
CID 20866652
2-benzyl-7-methoxy-1-methyl-1,3-dihydroisoquinolin-4-one
CID 134913566
(3R,4S)-2-benzyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydroisoquinolin-1-one
CID 44755586
(1R,2S)-1-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 118023139
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542
(2R)-3-benzyl-2-(3,5-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006820
3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 67482667
N-cyclooctyl-2-[(3-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3585145

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one?
The IUPAC name of 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one (CID 67945980) is 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one.
What is the SMILES notation for 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one?
The canonical SMILES for 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one is COc1ccc2c(c1)C1c3ccccc3C(=O)N(Cc3ccccc3)C1CC2.
What is the InChIKey of 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one?
The InChIKey is DIKGNVVCALKAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-28-19-13-11-18-12-14-23-24(22(18)15-19)20-9-5-6-10-21(20)25(27)26(23)16-17-7-3-2-4-8-17/h2-11,13,15,23-24H,12,14,16H2,1H3.
What are the key properties of 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one?
6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one has a molecular weight of 369.46 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-11-methoxy-6a,7,8,12b-tetrahydrobenzo[a]phenanthridin-5-one is sourced from PubChem (CID 67945980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).