7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione

C23H25N5O2 — CID 71538059

IUPAC7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNCCCc3ccccc3)c2cc1C
InChIInChI=1S/C23H25N5O2/c1-15-13-18-19(14-16(15)2)28(21-20(25-18)22(29)27-23(30)26-21)12-11-24-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,24H,6,9-12H2,1-2H3,(H,27,29,30)
InChIKeyOYFNLQCULWNRQT-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.42
Rot. Bonds7

About 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione

7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione (PubChem CID 71538059) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
PubChem CID71538059
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNCCCc3ccccc3)c2cc1C
InChIInChI=1S/C23H25N5O2/c1-15-13-18-19(14-16(15)2)28(21-20(25-18)22(29)27-23(30)26-21)12-11-24-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,24H,6,9-12H2,1-2H3,(H,27,29,30)
InChIKeyOYFNLQCULWNRQT-UHFFFAOYSA-N
XLogP2.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 88580586
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640
8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53491690
10-[2-[(2-methoxyphenyl)methylamino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 50907637
8-cyclopropyl-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 53492508
methyl 7-methyl-2,4-dioxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate
CID 88899592
10-[3-(3-methoxyphenyl)propyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 53491754
10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88988464
1-[2-[2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethylamino]ethyl]cyclopropane-1-carboxylic acid
CID 163837345
7-chloro-8-ethyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
CID 176777977
8-chloro-7-methyl-10-[2-[(4-methylphenyl)methylamino]ethyl]benzo[g]pteridine-2,4-dione
CID 143941765

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione?
The IUPAC name of 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione (CID 71538059) is 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione?
The canonical SMILES for 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNCCCc3ccccc3)c2cc1C.
What is the InChIKey of 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione?
The InChIKey is OYFNLQCULWNRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15-13-18-19(14-16(15)2)28(21-20(25-18)22(29)27-23(30)26-21)12-11-24-10-6-9-17-7-4-3-5-8-17/h3-5,7-8,13-14,24H,6,9-12H2,1-2H3,(H,27,29,30).
What are the key properties of 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione?
7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione has a molecular weight of 403.49 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 71538059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).