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

C19H19ClN2O5 — CID 118285411

IUPAC11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCC(C)C1Cc2cc(OCCO)cc(Cl)c2-c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H19ClN2O5/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/h5,7-10,15,23H,3-4,6H2,1-2H3
InChIKeyTUJKDVKWTNMWNY-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.20
Rot. Bonds5

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

11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285411) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285411
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCC(C)C1Cc2cc(OCCO)cc(Cl)c2-c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H19ClN2O5/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/h5,7-10,15,23H,3-4,6H2,1-2H3
InChIKeyTUJKDVKWTNMWNY-UHFFFAOYSA-N
XLogP3.20
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
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
N-(N'-diazenylcarbamimidoyl)-9-(2-methoxyethoxy)-11-methyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 144959414
10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285251
10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285313
ethyl (6R)-10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 140879823
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
9-(3-methoxypropoxy)-2-oxo-10-(2-phenoxyethoxy)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 138672874
(E)-[amino-[[10-chloro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carbonyl]amino]methylidene]-hydrazinylazanium
CID 144959402
(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515219
(6R)-10-methoxy-9-(4-methoxybutyl)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134425727
ethyl 10-chloro-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 134223825

Frequently Asked Questions

What is the IUPAC name of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118285411) is 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CC(C)C1Cc2cc(OCCO)cc(Cl)c2-c2cc(=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-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is TUJKDVKWTNMWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/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/h5,7-10,15,23H,3-4,6H2,1-2H3.
What are the key properties of 11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 390.82 g/mol, XLogP of 3.20, 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-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).