10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one

C18H21NO4 — CID 144959410

IUPAC10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1OC)-c1cc(=O)ccn1CC2
InChIInChI=1S/C18H21NO4/c1-21-8-3-9-23-18-10-13-4-6-19-7-5-14(20)11-16(19)15(13)12-17(18)22-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyJRMBGUZDPXKHIQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.50
Rot. Bonds6

About 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one

10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 144959410) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID144959410
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1OC)-c1cc(=O)ccn1CC2
InChIInChI=1S/C18H21NO4/c1-21-8-3-9-23-18-10-13-4-6-19-7-5-14(20)11-16(19)15(13)12-17(18)22-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyJRMBGUZDPXKHIQ-UHFFFAOYSA-N
XLogP2.50
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one (CID 144959410) is 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one is COCCCOc1cc2c(cc1OC)-c1cc(=O)ccn1CC2.
What is the InChIKey of 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is JRMBGUZDPXKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-8-3-9-23-18-10-13-4-6-19-7-5-14(20)11-16(19)15(13)12-17(18)22-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3.
What are the key properties of 10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one?
10-methoxy-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.50, 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)-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 144959410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).