6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C25H26N2O5 — CID 118518352

IUPAC6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1Cc2cc(OCc3ccccc3)c(O)cc2-c2cc(=O)c(C(=O)NCCO)cn21
InChIInChI=1S/C25H26N2O5/c1-2-18-10-17-11-24(32-15-16-6-4-3-5-7-16)23(30)12-19(17)21-13-22(29)20(14-27(18)21)25(31)26-8-9-28/h3-7,11-14,18,28,30H,2,8-10,15H2,1H3,(H,26,31)
InChIKeyKVYBQRNPRKSKGP-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.03
Rot. Bonds7

About 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118518352) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118518352
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCC1Cc2cc(OCc3ccccc3)c(O)cc2-c2cc(=O)c(C(=O)NCCO)cn21
InChIInChI=1S/C25H26N2O5/c1-2-18-10-17-11-24(32-15-16-6-4-3-5-7-16)23(30)12-19(17)21-13-22(29)20(14-27(18)21)25(31)26-8-9-28/h3-7,11-14,18,28,30H,2,8-10,15H2,1H3,(H,26,31)
InChIKeyKVYBQRNPRKSKGP-UHFFFAOYSA-N
XLogP3.03
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide 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

ethyl 6-ethyl-9-hydroxy-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251974
6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285323
amino 2-[[6-ethyl-10-hydroxy-9-(3-hydroxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizin-3-yl]methyl-methylamino]acetate
CID 118518338
10-chloro-9-ethoxy-6-ethyl-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
CID 118285313
ethyl 9-(cyclopropylmethoxy)-6-ethyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 118251972
3-hydroxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676204
N-(2-hydroxyethyl)-5-phenyl-3-phenylmethoxythiophene-2-carboxamide
CID 78888376
tert-butyl 6-ethyl-10-hydroxy-11-methoxy-2-oxo-7,8-dihydro-6H-pyrido[2,1-a][2]benzazepine-3-carboxylate
CID 138600398
ethyl 6-(acetyloxymethyl)-9,10-diethoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 121301617
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
ethyl 10-methoxy-6,6-dimethyl-2-oxo-9-phenylmethoxy-7H-benzo[a]quinolizine-3-carboxylate
CID 135313905

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118518352) is 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CCC1Cc2cc(OCc3ccccc3)c(O)cc2-c2cc(=O)c(C(=O)NCCO)cn21.
What is the InChIKey of 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is KVYBQRNPRKSKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-2-18-10-17-11-24(32-15-16-6-4-3-5-7-16)23(30)12-19(17)21-13-22(29)20(14-27(18)21)25(31)26-8-9-28/h3-7,11-14,18,28,30H,2,8-10,15H2,1H3,(H,26,31).
What are the key properties of 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-hydroxy-N-(2-hydroxyethyl)-2-oxo-9-phenylmethoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118518352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).