8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

C22H23N5O2 — CID 53491690

IUPAC8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1N(C)C
InChIInChI=1S/C22H23N5O2/c1-14-12-16-18(13-17(14)26(2)3)27(11-7-10-15-8-5-4-6-9-15)20-19(23-16)21(28)25-22(29)24-20/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,25,28,29)
InChIKeyRFTZFGJXZXKFTH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.59
Rot. Bonds5

About 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione

8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (PubChem CID 53491690) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
PubChem CID53491690
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1N(C)C
InChIInChI=1S/C22H23N5O2/c1-14-12-16-18(13-17(14)26(2)3)27(11-7-10-15-8-5-4-6-9-15)20-19(23-16)21(28)25-22(29)24-20/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,25,28,29)
InChIKeyRFTZFGJXZXKFTH-UHFFFAOYSA-N
XLogP2.59
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione (CID 53491690) is 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccccc3)c2cc1N(C)C.
What is the InChIKey of 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
The InChIKey is RFTZFGJXZXKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-12-16-18(13-17(14)26(2)3)27(11-7-10-15-8-5-4-6-9-15)20-19(23-16)21(28)25-22(29)24-20/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,25,28,29).
What are the key properties of 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione?
8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-7-methyl-10-(3-phenylpropyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 53491690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).