11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide

C19H23ClN2O5 — CID 118285144

IUPAC11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide
SMILESCC(C)C1CC2CC(OCCO)=CC(Cl)C2c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H23ClN2O5/c1-10(2)15-6-11-5-12(27-4-3-23)7-14(20)18(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h7-11,14-15,18,23H,3-6H2,1-2H3
InChIKeyAIUZNCBCQPTNHH-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.96
Rot. Bonds5

About 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide

11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285144) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285144
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide
SMILESCC(C)C1CC2CC(OCCO)=CC(Cl)C2c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H23ClN2O5/c1-10(2)15-6-11-5-12(27-4-3-23)7-14(20)18(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h7-11,14-15,18,23H,3-6H2,1-2H3
InChIKeyAIUZNCBCQPTNHH-UHFFFAOYSA-N
XLogP2.96
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285411
10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285251
ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285358
6-tert-butyl-9-heptoxy-10-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 134425532
10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 130195011
6,10-diethyl-9-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285362
(1S)-10-ethyl-11-(3-methoxypropoxy)-N,5-dioxo-2-azatetracyclo[12.5.0.02,7.08,13]nonadeca-3,6,8(13),9,11-pentaene-4-carboxamide
CID 163904315
ethyl (6R)-10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879823
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
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739

Frequently Asked Questions

What is the IUPAC name of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide (CID 118285144) is 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide is CC(C)C1CC2CC(OCCO)=CC(Cl)C2c2cc(=O)c(C(=O)N=O)cn21.
What is the InChIKey of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is AIUZNCBCQPTNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-10(2)15-6-11-5-12(27-4-3-23)7-14(20)18(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h7-11,14-15,18,23H,3-6H2,1-2H3.
What are the key properties of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide?
11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7,7a,8,11,11a-hexahydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).