2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide

C26H24N4O5 — CID 22424071

IUPAC2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)NCc1ccco1)n2C
InChIInChI=1S/C26H24N4O5/c1-28-21-11-10-18(34-2)13-20(21)23-24(28)25(32)30(15-17-7-4-3-5-8-17)26(33)29(23)16-22(31)27-14-19-9-6-12-35-19/h3-13H,14-16H2,1-2H3,(H,27,31)
InChIKeyJUCFIVHPTJIOGG-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.62
Rot. Bonds7

About 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 22424071) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID22424071
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)NCc1ccco1)n2C
InChIInChI=1S/C26H24N4O5/c1-28-21-11-10-18(34-2)13-20(21)23-24(28)25(32)30(15-17-7-4-3-5-8-17)26(33)29(23)16-22(31)27-14-19-9-6-12-35-19/h3-13H,14-16H2,1-2H3,(H,27,31)
InChIKeyJUCFIVHPTJIOGG-UHFFFAOYSA-N
XLogP2.62
TPSA100.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-benzyl-5,8-dimethyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 22424070
N-(furan-2-ylmethyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569433
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
N-(furan-2-ylmethyl)-2-[7-(4-methoxyphenyl)-1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]acetamide
CID 53116135
2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 3940386
2-(3-benzyl-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 27371851
N-(2,4-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429909
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 22424071) is 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide is COc1ccc2c(c1)c1c(c(=O)n(Cc3ccccc3)c(=O)n1CC(=O)NCc1ccco1)n2C.
What is the InChIKey of 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is JUCFIVHPTJIOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-28-21-11-10-18(34-2)13-20(21)23-24(28)25(32)30(15-17-7-4-3-5-8-17)26(33)29(23)16-22(31)27-14-19-9-6-12-35-19/h3-13H,14-16H2,1-2H3,(H,27,31).
What are the key properties of 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 472.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-8-methoxy-5-methyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 22424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).