10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one

C22H27NO4 — CID 142415899

IUPAC10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one
SMILESCOCCCOc1cc2c(cc1OC)-c1cc(=O)c(C)cn1C1(CCC1)C2
InChIInChI=1S/C22H27NO4/c1-15-14-23-18(12-19(15)24)17-11-20(26-3)21(27-9-5-8-25-2)10-16(17)13-22(23)6-4-7-22/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUIDKOTSOJHURNI-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.68
Rot. Bonds6

About 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one

10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one (PubChem CID 142415899) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one
PubChem CID142415899
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one
SMILESCOCCCOc1cc2c(cc1OC)-c1cc(=O)c(C)cn1C1(CCC1)C2
InChIInChI=1S/C22H27NO4/c1-15-14-23-18(12-19(15)24)17-11-20(26-3)21(27-9-5-8-25-2)10-16(17)13-22(23)6-4-7-22/h10-12,14H,4-9,13H2,1-3H3
InChIKeyUIDKOTSOJHURNI-UHFFFAOYSA-N
XLogP3.68
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one with MolForge

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Related Compounds

ethyl 9,10-dimethoxy-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 135314034
10-chloro-9-(3-methoxypropoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclopentane]-3-carboxylic acid
CID 135313556
10-ethynyl-9-(3-methoxypropoxy)-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylic acid
CID 135314177
ethyl 9-(butoxymethyl)-10-methoxy-2-oxospiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-3-carboxylate
CID 142415878
(6R)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;(6S)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 161380551
6-cyclobutyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251876
9,10-dimethoxy-2-oxospiro[7H-benzo[a]quinolizine-6,3'-oxetane]-3-carboxylic acid
CID 142415746
10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 144959410
amino 6-cyclobutyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118285162
6-ethyl-3-(hydroxymethyl)-10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 118514440
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
6-ethyl-10-methoxy-9-(3-methoxypropoxy)-3-(methylaminomethyl)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 118514449

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one?
The IUPAC name of 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one (CID 142415899) is 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one.
What is the SMILES notation for 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one?
The canonical SMILES for 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one is COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C)cn1C1(CCC1)C2.
What is the InChIKey of 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one?
The InChIKey is UIDKOTSOJHURNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-15-14-23-18(12-19(15)24)17-11-20(26-3)21(27-9-5-8-25-2)10-16(17)13-22(23)6-4-7-22/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one?
10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one has a molecular weight of 369.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-9-(3-methoxypropoxy)-3-methylspiro[7H-benzo[a]quinolizine-6,1'-cyclobutane]-2-one is sourced from PubChem (CID 142415899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).