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

C26H33NO4 — CID 118609840

IUPAC9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCC(C)C1Cc2cc(CCC3CC3)ccc2-c2cc(OC[C@@H]3COCCO3)cc(=O)n21
InChIInChI=1S/C26H33NO4/c1-17(2)24-12-20-11-19(6-5-18-3-4-18)7-8-23(20)25-13-21(14-26(28)27(24)25)31-16-22-15-29-9-10-30-22/h7-8,11,13-14,17-18,22,24H,3-6,9-10,12,15-16H2,1-2H3/t22-,24?/m0/s1
InChIKeyMUCJDGACGJSLAR-OWJIYDKWSA-N
MW423.55 g/mol
LogP4.41
Rot. Bonds7

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

9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118609840) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118609840
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCC(C)C1Cc2cc(CCC3CC3)ccc2-c2cc(OC[C@@H]3COCCO3)cc(=O)n21
InChIInChI=1S/C26H33NO4/c1-17(2)24-12-20-11-19(6-5-18-3-4-18)7-8-23(20)25-13-21(14-26(28)27(24)25)31-16-22-15-29-9-10-30-22/h7-8,11,13-14,17-18,22,24H,3-6,9-10,12,15-16H2,1-2H3/t22-,24?/m0/s1
InChIKeyMUCJDGACGJSLAR-OWJIYDKWSA-N
XLogP4.41
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-ethoxy-6-methyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609743
1,4-dioxan-2-ylmethyl (2Z)-2-[6-(2-cyclopropylethyl)-2-formyl-3,4-dihydroisoquinolin-1-ylidene]-N-methylethanimidate
CID 166986910
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-ethyl-9-(3-methoxybutyl)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610045
1-[(1R)-1-[4-(2-cyclopropylethynyl)phenyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-methylpyridin-2-one
CID 164856070
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-[2-[(2S)-1,4-dioxan-2-yl]ethoxy]-9-(3-methoxypropyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 163553752
1-[3-(2-cyclopropylethynyl)phenyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyridin-2-one
CID 164856136
9-(cyclopentyloxymethyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 71616642
1-[1-[4-(2-cyclopropylethynyl)phenyl]propyl]-4-(1,4-dioxan-2-ylmethoxy)-6-methylpyridin-2-one
CID 164856471
2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-hydroxypentyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;2-[[(2S)-1,4-dioxan-2-yl]methoxy]-9-(3-hydroxypent-1-ynyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;[2-[[(2S)-1,4-dioxan-2-yl]methoxy]-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-9-yl] trifluoromethanesulfonate
CID 159268667
9-[3-(cyclohexa-2,4-dien-1-ylamino)propyl]-2-[[(2R)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 166988958
1-[1-[5-(2-cyclopropylethynyl)-3-methyl-2-pyridinyl]ethyl]-4-[[(2S)-1,4-dioxan-2-yl]methoxy]pyridin-2-one
CID 167175775

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118609840) is 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one is CC(C)C1Cc2cc(CCC3CC3)ccc2-c2cc(OC[C@@H]3COCCO3)cc(=O)n21.
What is the InChIKey of 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is MUCJDGACGJSLAR-OWJIYDKWSA-N. The full InChI is InChI=1S/C26H33NO4/c1-17(2)24-12-20-11-19(6-5-18-3-4-18)7-8-23(20)25-13-21(14-26(28)27(24)25)31-16-22-15-29-9-10-30-22/h7-8,11,13-14,17-18,22,24H,3-6,9-10,12,15-16H2,1-2H3/t22-,24?/m0/s1.
What are the key properties of 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one?
9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 423.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylethyl)-2-[[(2S)-1,4-dioxan-2-yl]methoxy]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).