8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

C23H19N3O2 — CID 6619068

IUPAC8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
SMILESO=C(Nc1cccnc1)C1c2ccccc2C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C23H19N3O2/c27-22(25-16-7-5-12-24-14-16)20-18-9-3-4-10-19(18)23(28)26-13-11-15-6-1-2-8-17(15)21(20)26/h1-10,12,14,20-21H,11,13H2,(H,25,27)
InChIKeyKWZJSEIGYQNKLC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.56
Rot. Bonds2

About 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide (PubChem CID 6619068) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide.

Molecular Properties

Compound Name8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
PubChem CID6619068
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
SMILESO=C(Nc1cccnc1)C1c2ccccc2C(=O)N2CCc3ccccc3C12
InChIInChI=1S/C23H19N3O2/c27-22(25-16-7-5-12-24-14-16)20-18-9-3-4-10-19(18)23(28)26-13-11-15-6-1-2-8-17(15)21(20)26/h1-10,12,14,20-21H,11,13H2,(H,25,27)
InChIKeyKWZJSEIGYQNKLC-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 6621354
8-oxo-N-propan-2-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 3312380
N-(5-chloro-2,4-dimethoxyphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 15993890
N-[3-(azepan-1-yl)propyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 5064221
N-(3-ethoxypropyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 3241282
(3R,9bS)-5-oxo-N-pyridin-3-yl-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 41063357
(13R,13aS)-10,11-dimethoxy-8-oxo-N-[3-(trifluoromethyl)phenyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 92660653
(13R,13aS)-13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 92655797
(3R,4R)-3-(4-chlorophenyl)-2-[(1S,2S)-2-(methanesulfonamido)cyclohexyl]-1-oxo-N-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 70850087
(13R,13aR)-2,3-diethoxy-8-oxo-N-[4-(trifluoromethyl)phenyl]-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 92656341
N-(3-fluoro-4-methylphenyl)-10,11-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 15992371
N-(2,4-dimethoxyphenyl)-2,3-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 15991730

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The IUPAC name of 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide (CID 6619068) is 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide.
What is the SMILES notation for 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The canonical SMILES for 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide is O=C(Nc1cccnc1)C1c2ccccc2C(=O)N2CCc3ccccc3C12.
What is the InChIKey of 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
The InChIKey is KWZJSEIGYQNKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-22(25-16-7-5-12-24-14-16)20-18-9-3-4-10-19(18)23(28)26-13-11-15-6-1-2-8-17(15)21(20)26/h1-10,12,14,20-21H,11,13H2,(H,25,27).
What are the key properties of 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide?
8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-N-pyridin-3-yl-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide is sourced from PubChem (CID 6619068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).