7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione

C19H23N5O3 — CID 88580586

IUPAC7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
SMILESCC(=O)CCCNCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21
InChIInChI=1S/C19H23N5O3/c1-11-9-14-15(10-12(11)2)24(8-7-20-6-4-5-13(3)25)17-16(21-14)18(26)23-19(27)22-17/h9-10,20H,4-8H2,1-3H3,(H,23,26,27)
InChIKeyBJLMHFXTYHZYSC-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.16
Rot. Bonds7

About 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione

7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione (PubChem CID 88580586) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
PubChem CID88580586
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
SMILESCC(=O)CCCNCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21
InChIInChI=1S/C19H23N5O3/c1-11-9-14-15(10-12(11)2)24(8-7-20-6-4-5-13(3)25)17-16(21-14)18(26)23-19(27)22-17/h9-10,20H,4-8H2,1-3H3,(H,23,26,27)
InChIKeyBJLMHFXTYHZYSC-UHFFFAOYSA-N
XLogP1.16
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione (CID 88580586) is 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione is CC(=O)CCCNCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21.
What is the InChIKey of 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione?
The InChIKey is BJLMHFXTYHZYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-9-14-15(10-12(11)2)24(8-7-20-6-4-5-13(3)25)17-16(21-14)18(26)23-19(27)22-17/h9-10,20H,4-8H2,1-3H3,(H,23,26,27).
What are the key properties of 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione?
7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88580586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).