10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C19H19ClN2O5 — CID 118285251

IUPAC10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1C(C)c2cc(OCCO)c(Cl)cc2-c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H19ClN2O5/c1-3-15-10(2)11-7-18(27-5-4-23)14(20)6-12(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h6-10,15,23H,3-5H2,1-2H3
InChIKeyIFYISCKKWIVPGP-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.51
Rot. Bonds5

About 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285251) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285251
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1C(C)c2cc(OCCO)c(Cl)cc2-c2cc(=O)c(C(=O)N=O)cn21
InChIInChI=1S/C19H19ClN2O5/c1-3-15-10(2)11-7-18(27-5-4-23)14(20)6-12(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h6-10,15,23H,3-5H2,1-2H3
InChIKeyIFYISCKKWIVPGP-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285313
11-chloro-9-(2-hydroxyethoxy)-N,2-dioxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285411
ethyl 10-chloro-9-(2-hydroxyethoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118284998
(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
8-chloro-9,10-dimethoxy-6-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285358
6,10-diethyl-9-methoxy-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285362
methyl 2-chloro-3-(3-methoxypropoxy)-6-methyl-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylate
CID 139466141
methyl (2R,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate
CID 158007616
10-chloro-9-(3-methoxypropoxy)-15-oxospiro[1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-3,1'-cyclopropane]-16-carboxylic acid
CID 163542018
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
(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
(6S)-10-chloro-9-(3-hydroxypropoxy)-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 130195045

Frequently Asked Questions

What is the IUPAC name of 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118285251) is 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CCC1C(C)c2cc(OCCO)c(Cl)cc2-c2cc(=O)c(C(=O)N=O)cn21.
What is the InChIKey of 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is IFYISCKKWIVPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-3-15-10(2)11-7-18(27-5-4-23)14(20)6-12(11)16-8-17(24)13(9-22(15)16)19(25)21-26/h6-10,15,23H,3-5H2,1-2H3.
What are the key properties of 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 390.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-6-ethyl-9-(2-hydroxyethoxy)-7-methyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).