(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one

C21H19F2NO4 — CID 165023711

IUPAC(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
SMILESCC(=O)c1cn2c(cc1=O)-c1oc3c(OC(F)F)cccc3c1C[C@H]2C(C)C
InChIInChI=1S/C21H19F2NO4/c1-10(2)15-7-13-12-5-4-6-18(27-21(22)23)20(12)28-19(13)16-8-17(26)14(11(3)25)9-24(15)16/h4-6,8-10,15,21H,7H2,1-3H3/t15-/m0/s1
InChIKeyLNWSUZJYDHNOED-HNNXBMFYSA-N
MW387.38 g/mol
LogP4.82
Rot. Bonds4

About (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one

(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one (PubChem CID 165023711) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one.

Molecular Properties

Compound Name(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
PubChem CID165023711
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one
SMILESCC(=O)c1cn2c(cc1=O)-c1oc3c(OC(F)F)cccc3c1C[C@H]2C(C)C
InChIInChI=1S/C21H19F2NO4/c1-10(2)15-7-13-12-5-4-6-18(27-21(22)23)20(12)28-19(13)16-8-17(26)14(11(3)25)9-24(15)16/h4-6,8-10,15,21H,7H2,1-3H3/t15-/m0/s1
InChIKeyLNWSUZJYDHNOED-HNNXBMFYSA-N
XLogP4.82
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(6S)-2-oxo-6-propan-2-yl-11-thiophen-3-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470616
6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470651
6-tert-butyl-10-(difluoromethoxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146448510
5-acetyl-8-tert-butyl-13-propan-2-yloxy-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaen-4-one
CID 158217075
6-tert-butyl-2-oxo-11-(1H-pyrazol-4-yl)-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470772
5-acetyl-8-tert-butyl-13-(2-methylpropoxy)-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaen-4-one
CID 158249724
methyl 3-acetyl-2-oxo-6-propan-2-yl-9-pyrrolidin-1-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate
CID 162265405
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 118992474
(1Z)-4-tert-butyl-1-[5-(difluoromethoxy)-6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene]-2-methyl-8-oxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 142462022
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[8-amino-4-(difluoromethoxy)dibenzofuran-1-yl]ethanone
CID 143212775

Frequently Asked Questions

What is the IUPAC name of (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The IUPAC name of (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one (CID 165023711) is (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one.
What is the SMILES notation for (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The canonical SMILES for (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one is CC(=O)c1cn2c(cc1=O)-c1oc3c(OC(F)F)cccc3c1C[C@H]2C(C)C.
What is the InChIKey of (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
The InChIKey is LNWSUZJYDHNOED-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-10(2)15-7-13-12-5-4-6-18(27-21(22)23)20(12)28-19(13)16-8-17(26)14(11(3)25)9-24(15)16/h4-6,8-10,15,21H,7H2,1-3H3/t15-/m0/s1.
What are the key properties of (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one?
(6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one has a molecular weight of 387.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-acetyl-11-(difluoromethoxy)-6-propan-2-yl-6,7-dihydro-[1]benzofuro[2,3-a]quinolizin-2-one is sourced from PubChem (CID 165023711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).