6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide

C18H21N5O4 — CID 86663571

IUPAC6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCC(=O)NO)c2cc1C
InChIInChI=1S/C18H21N5O4/c1-10-8-12-13(9-11(10)2)23(7-5-3-4-6-14(24)22-27)16-15(19-12)17(25)21-18(26)20-16/h8-9,27H,3-7H2,1-2H3,(H,22,24)(H,21,25,26)
InChIKeyQHVNJAMTVZFTCH-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.27
Rot. Bonds6

About 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide

6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide (PubChem CID 86663571) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
PubChem CID86663571
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCC(=O)NO)c2cc1C
InChIInChI=1S/C18H21N5O4/c1-10-8-12-13(9-11(10)2)23(7-5-3-4-6-14(24)22-27)16-15(19-12)17(25)21-18(26)20-16/h8-9,27H,3-7H2,1-2H3,(H,22,24)(H,21,25,26)
InChIKeyQHVNJAMTVZFTCH-UHFFFAOYSA-N
XLogP1.27
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide (CID 86663571) is 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCCCC(=O)NO)c2cc1C.
What is the InChIKey of 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide?
The InChIKey is QHVNJAMTVZFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-10-8-12-13(9-11(10)2)23(7-5-3-4-6-14(24)22-27)16-15(19-12)17(25)21-18(26)20-16/h8-9,27H,3-7H2,1-2H3,(H,22,24)(H,21,25,26).
What are the key properties of 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide?
6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide has a molecular weight of 371.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 86663571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).