10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

C23H23N5O2 — CID 88988464

IUPAC10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNC3Cc4ccccc4C3)c2cc1C
InChIInChI=1S/C23H23N5O2/c1-13-9-18-19(10-14(13)2)28(21-20(25-18)22(29)27-23(30)26-21)8-7-24-17-11-15-5-3-4-6-16(15)12-17/h3-6,9-10,17,24H,7-8,11-12H2,1-2H3,(H,27,29,30)
InChIKeyFFMCEAQCFMDSQW-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.96
Rot. Bonds4

About 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione

10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (PubChem CID 88988464) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
PubChem CID88988464
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNC3Cc4ccccc4C3)c2cc1C
InChIInChI=1S/C23H23N5O2/c1-13-9-18-19(10-14(13)2)28(21-20(25-18)22(29)27-23(30)26-21)8-7-24-17-11-15-5-3-4-6-16(15)12-17/h3-6,9-10,17,24H,7-8,11-12H2,1-2H3,(H,27,29,30)
InChIKeyFFMCEAQCFMDSQW-UHFFFAOYSA-N
XLogP1.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione with MolForge

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Related Compounds

carbon dioxide;7,8-dimethyl-10-[2-[[(3R)-3-methylcyclopentyl]amino]ethyl]benzo[g]pteridine-2,4-dione
CID 158869090
7,8-dimethyl-10-[2-(3-phenylpropylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 71538059
10-[2-[(2-methoxyphenyl)methylamino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 50907637
7,8-dimethyl-10-(4-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 88899590
7,8-dimethyl-10-(3-phenylbutyl)benzo[g]pteridine-2,4-dione
CID 87408696
10-[2-[1-(4-tert-butylphenyl)ethylamino]ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 50906386
7,8-dimethyl-10-[2-(4-oxopentylamino)ethyl]benzo[g]pteridine-2,4-dione
CID 88580586
1-[2-[2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethylamino]ethyl]cyclopropane-1-carboxylic acid
CID 163837345
10-[2-(2-benzylpyrrolidin-1-yl)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88988613
7,8-dimethyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione
CID 53492640
10-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 88988617
10-[2-(2-hydroxyethoxy)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 89311042

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione (CID 88988464) is 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNC3Cc4ccccc4C3)c2cc1C.
What is the InChIKey of 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
The InChIKey is FFMCEAQCFMDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-9-18-19(10-14(13)2)28(21-20(25-18)22(29)27-23(30)26-21)8-7-24-17-11-15-5-3-4-6-16(15)12-17/h3-6,9-10,17,24H,7-8,11-12H2,1-2H3,(H,27,29,30).
What are the key properties of 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione?
10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2,3-dihydro-1H-inden-2-ylamino)ethyl]-7,8-dimethylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 88988464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).