9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

C24H27F2NO6 — CID 118615158

IUPAC9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OCC1CC1(F)F)CCn1c-2c(C)c(OC[C@@H]2COCCO2)cc1=O
InChIInChI=1S/C24H27F2NO6/c1-14-19(33-13-17-12-30-5-6-31-17)9-22(28)27-4-3-15-7-21(32-11-16-10-24(16,25)26)20(29-2)8-18(15)23(14)27/h7-9,16-17H,3-6,10-13H2,1-2H3/t16?,17-/m0/s1
InChIKeyPXQYZFDDRQCARD-DJNXLDHESA-N
MW463.48 g/mol
LogP3.22
Rot. Bonds7

About 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one

9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118615158) has the molecular formula C24H27F2NO6 and a molecular weight of 463.48 g/mol. Its IUPAC name is 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118615158
Molecular FormulaC24H27F2NO6
Molecular Weight463.48 g/mol
Exact Mass463.18
IUPAC Name9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OCC1CC1(F)F)CCn1c-2c(C)c(OC[C@@H]2COCCO2)cc1=O
InChIInChI=1S/C24H27F2NO6/c1-14-19(33-13-17-12-30-5-6-31-17)9-22(28)27-4-3-15-7-21(32-11-16-10-24(16,25)26)20(29-2)8-18(15)23(14)27/h7-9,16-17H,3-6,10-13H2,1-2H3/t16?,17-/m0/s1
InChIKeyPXQYZFDDRQCARD-DJNXLDHESA-N
XLogP3.22
TPSA68.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

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Related Compounds

[2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-4-oxo-6,7-dihydrobenzo[a]quinolizin-9-yl]methanesulfonic acid
CID 162768829
9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609947
2-(1,4-dioxan-2-ylmethylamino)-10-hydroxy-9-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610020
2-(1,4-dioxan-2-ylmethoxy)-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609950
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-ethyl-9-(3-methoxybutyl)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610045
8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610055
9-(3,3-difluoropyrrolidin-1-yl)-4-(1,4-dioxan-2-ylmethoxy)-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 155017407
4-(1,4-dioxan-2-ylmethoxy)-9-ethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 145172990
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(hydroxymethoxy)-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 146406571
9-(chloromethoxy)-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 170067506
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2,9,10-trimethoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 144982882
4-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methyl-9-pyridin-4-yl-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641870

Frequently Asked Questions

What is the IUPAC name of 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118615158) is 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is COc1cc2c(cc1OCC1CC1(F)F)CCn1c-2c(C)c(OC[C@@H]2COCCO2)cc1=O.
What is the InChIKey of 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is PXQYZFDDRQCARD-DJNXLDHESA-N. The full InChI is InChI=1S/C24H27F2NO6/c1-14-19(33-13-17-12-30-5-6-31-17)9-22(28)27-4-3-15-7-21(32-11-16-10-24(16,25)26)20(29-2)8-18(15)23(14)27/h7-9,16-17H,3-6,10-13H2,1-2H3/t16?,17-/m0/s1.
What are the key properties of 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one?
9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 463.48 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2-difluorocyclopropyl)methoxy]-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-10-methoxy-1-methyl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118615158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).