2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one

C16H13N3O4 — CID 135511118

IUPAC2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)[nH]c(-c4ccco4)nc3c2cc1OC
InChIInChI=1S/C16H13N3O4/c1-21-11-6-8-9(7-12(11)22-2)17-14-13(8)18-15(19-16(14)20)10-4-3-5-23-10/h3-7,17H,1-2H3,(H,18,19,20)
InChIKeyHNXNQZXZVIFTLG-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.68
Rot. Bonds3

About 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one

2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one (PubChem CID 135511118) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
PubChem CID135511118
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
SMILESCOc1cc2[nH]c3c(=O)[nH]c(-c4ccco4)nc3c2cc1OC
InChIInChI=1S/C16H13N3O4/c1-21-11-6-8-9(7-12(11)22-2)17-14-13(8)18-15(19-16(14)20)10-4-3-5-23-10/h3-7,17H,1-2H3,(H,18,19,20)
InChIKeyHNXNQZXZVIFTLG-UHFFFAOYSA-N
XLogP2.68
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
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CID 10562741
2-(furan-2-yl)-6-(3,4,5-trimethoxyphenyl)sulfinyl-1H-benzimidazole
CID 163695148
6-(furan-2-yl)-1-(2-methoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154363665
4,5-bis(furan-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole
CID 4881297
3-(furan-2-ylmethyl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one
CID 866383
2-(furan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941277
5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437608
2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135751347
2-(furan-2-yl)-6-methoxy-1H-1,3,5-triazine-4-thione
CID 106518179
7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863395
2-(furan-3-yl)-8-methoxy-3H-quinazolin-4-one
CID 137190179

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The IUPAC name of 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one (CID 135511118) is 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The canonical SMILES for 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one is COc1cc2[nH]c3c(=O)[nH]c(-c4ccco4)nc3c2cc1OC.
What is the InChIKey of 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
The InChIKey is HNXNQZXZVIFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-21-11-6-8-9(7-12(11)22-2)17-14-13(8)18-15(19-16(14)20)10-4-3-5-23-10/h3-7,17H,1-2H3,(H,18,19,20).
What are the key properties of 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one?
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one has a molecular weight of 311.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 135511118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).