4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide

C23H26N4O5 — CID 45370390

IUPAC4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide
SMILESCOc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)C1C2
InChIInChI=1S/C23H26N4O5/c1-31-19-11-16-10-18-22(29)26(23(30)27(18)14-17(16)12-20(19)32-2)9-3-4-21(28)25-13-15-5-7-24-8-6-15/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,25,28)
InChIKeyBJCDIAXAVLFRJS-UHFFFAOYSA-N
MW438.48 g/mol
LogP1.88
Rot. Bonds8

About 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide

4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 45370390) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide
PubChem CID45370390
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide
SMILESCOc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)C1C2
InChIInChI=1S/C23H26N4O5/c1-31-19-11-16-10-18-22(29)26(23(30)27(18)14-17(16)12-20(19)32-2)9-3-4-21(28)25-13-15-5-7-24-8-6-15/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,25,28)
InChIKeyBJCDIAXAVLFRJS-UHFFFAOYSA-N
XLogP1.88
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

6-[(10aR)-7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(pyridin-2-ylmethyl)hexanamide
CID 51819657
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 9261752
4-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 73403121
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(4-methylphenyl)hexanamide
CID 7679501
N-(4-butylphenyl)-6-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)hexanamide
CID 73399864
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-oxo-N-(pyridin-4-ylmethyl)propanamide
CID 108963674
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoic acid
CID 7646877
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide (CID 45370390) is 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide is COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccncc3)C(=O)C1C2.
What is the InChIKey of 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is BJCDIAXAVLFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-31-19-11-16-10-18-22(29)26(23(30)27(18)14-17(16)12-20(19)32-2)9-3-4-21(28)25-13-15-5-7-24-8-6-15/h5-8,11-12,18H,3-4,9-10,13-14H2,1-2H3,(H,25,28).
What are the key properties of 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide?
4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 438.48 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 45370390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).