10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C18H17ClN2O4 — CID 118285313

IUPAC10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCOc1cc2c(cc1Cl)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2
InChIInChI=1S/C18H17ClN2O4/c1-3-11-5-10-6-17(25-4-2)14(19)7-12(10)15-8-16(22)13(9-21(11)15)18(23)20-24/h6-9,11H,3-5H2,1-2H3
InChIKeyBGCNXOWSXRKJBN-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.98
Rot. Bonds4

About 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285313) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285313
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCOc1cc2c(cc1Cl)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2
InChIInChI=1S/C18H17ClN2O4/c1-3-11-5-10-6-17(25-4-2)14(19)7-12(10)15-8-16(22)13(9-21(11)15)18(23)20-24/h6-9,11H,3-5H2,1-2H3
InChIKeyBGCNXOWSXRKJBN-UHFFFAOYSA-N
XLogP3.98
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,10-diethyl-9-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285362
6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285323
ethyl 10-chloro-9-(2-methoxyethoxy)-6-(methylsulfanylmethyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 121301642
ethyl 6-ethyl-9-hydroxy-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251974
(6R)-10-chloro-9-(2-methoxyethoxy)-6-(2-methylpropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;(6S)-10-chloro-9-(2-methoxyethoxy)-6-(2-methylpropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 158351498
10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285251
ethyl 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251972
ethyl 6-(acetyloxymethyl)-9,10-diethoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 121301617
ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
ethyl (6R)-10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879823
6-tert-butyl-9-heptoxy-10-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 134425532
6-butyl-10-chloro-2-hydroxyimino-9-(3-methoxypropoxy)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 146180915

Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118285313) is 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CCOc1cc2c(cc1Cl)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2.
What is the InChIKey of 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is BGCNXOWSXRKJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-3-11-5-10-6-17(25-4-2)14(19)7-12(10)15-8-16(22)13(9-21(11)15)18(23)20-24/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).