7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane

C19H24N4O3 — CID 143941805

IUPAC7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
SMILESCC.O=CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21
InChIInChI=1S/C17H18N4O3.C2H6/c22-11-7-3-1-2-6-10-21-13-9-5-4-8-12(13)18-14-15(21)19-17(24)20-16(14)23;1-2/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,23,24);1-2H3
InChIKeyFBWWKWXROHAGOD-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.76
Rot. Bonds7

About 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane

7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane (PubChem CID 143941805) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane.

Molecular Properties

Compound Name7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
PubChem CID143941805
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane
SMILESCC.O=CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21
InChIInChI=1S/C17H18N4O3.C2H6/c22-11-7-3-1-2-6-10-21-13-9-5-4-8-12(13)18-14-15(21)19-17(24)20-16(14)23;1-2/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,23,24);1-2H3
InChIKeyFBWWKWXROHAGOD-UHFFFAOYSA-N
XLogP2.76
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[8-(dimethylamino)-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl]hexanal
CID 88587220
6-(2-methylbenzimidazol-1-yl)hexanal
CID 169157761
7-[8-(cyclopentylamino)-7-methyl-2,4-dioxobenzo[g]pteridin-10-yl]heptanal
CID 88587240
7-(7-methyl-2,4-dioxobenzo[g]pteridin-10-yl)heptanoic acid
CID 87168225
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
CID 86663571
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
10-heptyl-7-methyl-8-propan-2-ylbenzo[g]pteridine-2,4-dione
CID 91207684
3-(2-methylbenzimidazol-1-yl)propanal
CID 63041699
7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 71538059

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane?
The IUPAC name of 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane (CID 143941805) is 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane.
What is the SMILES notation for 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane?
The canonical SMILES for 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane is CC.O=CCCCCCCn1c2nc(=O)[nH]c(=O)c-2nc2ccccc21.
What is the InChIKey of 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane?
The InChIKey is FBWWKWXROHAGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3.C2H6/c22-11-7-3-1-2-6-10-21-13-9-5-4-8-12(13)18-14-15(21)19-17(24)20-16(14)23;1-2/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,23,24);1-2H3.
What are the key properties of 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane?
7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane has a molecular weight of 356.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dioxobenzo[g]pteridin-10-yl)heptanal;ethane is sourced from PubChem (CID 143941805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).