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

C19H20N2O4 — CID 118285323

IUPAC6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCCc1cc2c(cc1O)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2
InChIInChI=1S/C19H20N2O4/c1-3-5-11-6-12-7-13(4-2)21-10-15(19(24)20-25)18(23)9-16(21)14(12)8-17(11)22/h6,8-10,13,22H,3-5,7H2,1-2H3
InChIKeyQCYCFONSUMRICP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.59
Rot. Bonds4

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

6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 118285323) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
PubChem CID118285323
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
SMILESCCCc1cc2c(cc1O)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2
InChIInChI=1S/C19H20N2O4/c1-3-5-11-6-12-7-13(4-2)21-10-15(19(24)20-25)18(23)9-16(21)14(12)8-17(11)22/h6,8-10,13,22H,3-5,7H2,1-2H3
InChIKeyQCYCFONSUMRICP-UHFFFAOYSA-N
XLogP3.59
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The IUPAC name of 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 118285323) is 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.
What is the SMILES notation for 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The canonical SMILES for 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is CCCc1cc2c(cc1O)-c1cc(=O)c(C(=O)N=O)cn1C(CC)C2.
What is the InChIKey of 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
The InChIKey is QCYCFONSUMRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-5-11-6-12-7-13(4-2)21-10-15(19(24)20-25)18(23)9-16(21)14(12)8-17(11)22/h6,8-10,13,22H,3-5,7H2,1-2H3.
What are the key properties of 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?
6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-10-hydroxy-N,2-dioxo-9-propyl-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 118285323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).