1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

C29H27NO6 — CID 110273739

IUPAC1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc(-c2c(O)c(-c3ccccc3)c(=O)n3c2-c2cc(OC)c(OC)cc2CC3)cc1OC
InChIInChI=1S/C29H27NO6/c1-33-21-11-10-19(15-22(21)34-2)25-27-20-16-24(36-4)23(35-3)14-18(20)12-13-30(27)29(32)26(28(25)31)17-8-6-5-7-9-17/h5-11,14-16,31H,12-13H2,1-4H3
InChIKeyKJKHTZLEKDCMEE-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.15
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one

1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 110273739) has the molecular formula C29H27NO6 and a molecular weight of 485.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID110273739
Molecular FormulaC29H27NO6
Molecular Weight485.54 g/mol
Exact Mass485.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1ccc(-c2c(O)c(-c3ccccc3)c(=O)n3c2-c2cc(OC)c(OC)cc2CC3)cc1OC
InChIInChI=1S/C29H27NO6/c1-33-21-11-10-19(15-22(21)34-2)25-27-20-16-24(36-4)23(35-3)14-18(20)12-13-30(27)29(32)26(28(25)31)17-8-6-5-7-9-17/h5-11,14-16,31H,12-13H2,1-4H3
InChIKeyKJKHTZLEKDCMEE-UHFFFAOYSA-N
XLogP5.15
TPSA79.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

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Related Compounds

2-(2-bromo-4,5-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-N-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 139251138
8,16-dimethoxy-12-(3-methoxy-4-phenylmethoxyphenyl)-7,17-bis(phenylmethoxy)-1,4-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-3-one
CID 139251127
12-(3,4-dimethoxyphenyl)-16,17-dimethoxy-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-3-ol
CID 101090935
methyl 1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-(2-prop-2-enoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 135012018
methyl 2-(3,4-dimethoxyphenyl)-8,9-dimethoxy-1-nitro-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 16726774
ethyl 8,9-dimethoxy-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylate
CID 66925895
methyl 2-(3-hydroxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 10200581
ethyl 2-(4-hydroxy-3-methoxyphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 20823092
8,9-dimethoxy-1-phenyl-3-(2-phenylethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 23254647
4-[8,9-dimethoxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]phenol
CID 44817655
8,9-dimethoxy-3-phenyl-1-propyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 139593043
[4-[7,17-bis[[(2S)-2-aminopropanoyl]oxy]-8,16-dimethoxy-3-oxo-4-oxa-1-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-2(11),5,7,9,12,14,16,18-octaen-12-yl]-2-methoxyphenyl] (2S)-2-aminopropanoate
CID 58685353

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 110273739) is 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is COc1ccc(-c2c(O)c(-c3ccccc3)c(=O)n3c2-c2cc(OC)c(OC)cc2CC3)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is KJKHTZLEKDCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO6/c1-33-21-11-10-19(15-22(21)34-2)25-27-20-16-24(36-4)23(35-3)14-18(20)12-13-30(27)29(32)26(28(25)31)17-8-6-5-7-9-17/h5-11,14-16,31H,12-13H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one?
1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 485.54 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-hydroxy-9,10-dimethoxy-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 110273739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).