9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C30H33NO6 — CID 137352029

IUPAC9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOCCCOc1cc2c(cc1C(=O)CCc1ccccc1)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
InChIInChI=1S/C30H33NO6/c1-19(2)25-14-21-15-29(37-13-7-12-36-3)23(27(32)11-10-20-8-5-4-6-9-20)16-22(21)26-17-28(33)24(30(34)35)18-31(25)26/h4-6,8-9,15-19,25H,7,10-14H2,1-3H3,(H,34,35)
InChIKeyAJSQVEWLXNSVHG-UHFFFAOYSA-N
MW503.60 g/mol
LogP5.20
Rot. Bonds11

About 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 137352029) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID137352029
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC Name9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOCCCOc1cc2c(cc1C(=O)CCc1ccccc1)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2
InChIInChI=1S/C30H33NO6/c1-19(2)25-14-21-15-29(37-13-7-12-36-3)23(27(32)11-10-20-8-5-4-6-9-20)16-22(21)26-17-28(33)24(30(34)35)18-31(25)26/h4-6,8-9,15-19,25H,7,10-14H2,1-3H3,(H,34,35)
InChIKeyAJSQVEWLXNSVHG-UHFFFAOYSA-N
XLogP5.20
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(3-methoxypropoxy)-2-oxo-10-(2-phenoxyethoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672874
10-fluoro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251877
10-(1-hydroxycyclopropyl)-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672366
(6R)-10-methoxy-9-(4-methoxybutyl)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134425727
(6S)-9-[2-(4-carboxyphenyl)ethoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602223
10-(2-amino-1,3-thiazol-4-yl)-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672498
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206
2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462144
10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-phenyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 122457146
ethyl (6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 126538627
ethyl (6R)-10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879823

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 137352029) is 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COCCCOc1cc2c(cc1C(=O)CCc1ccccc1)-c1cc(=O)c(C(=O)O)cn1C(C(C)C)C2.
What is the InChIKey of 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is AJSQVEWLXNSVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33NO6/c1-19(2)25-14-21-15-29(37-13-7-12-36-3)23(27(32)11-10-20-8-5-4-6-9-20)16-22(21)26-17-28(33)24(30(34)35)18-31(25)26/h4-6,8-9,15-19,25H,7,10-14H2,1-3H3,(H,34,35).
What are the key properties of 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 503.60 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxypropoxy)-2-oxo-10-(3-phenylpropanoyl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 137352029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).