7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione

C113H114N20O11 — CID 157467012

IUPAC7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C(=O)OC)cc1N2CCCc1ccccc1.CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccc(C)cc3)c2cc1C.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1
InChIInChI=1S/C23H22N4O3.2C23H24N4O2.2C22H22N4O2/c1-14-12-18-19(13-17(14)23(29)30-3)27(11-7-10-16-8-5-4-6-9-16)21-20(26-18)22(28)25-15(2)24-21;1-4-17-13-18-19(12-15(17)3)27(11-5-6-16-9-7-14(2)8-10-16)21-20(24-18)22(28)26-23(29)25-21;1-3-5-17-11-12-19-18(14-17)24-20-21(25-23(29)26-22(20)28)27(19)13-4-6-16-9-7-15(2)8-10-16;2*1-3-15-9-10-18-17(13-15)23-19-20(24-22(28)25-21(19)27)26(18)11-5-8-16-7-4-6-14(2)12-16/h4-6,8-9,12-13H,2,7,10-11H2,1,3H3,(H,25,28);7-10,12-13H,4-6,11H2,1-3H3,(H,26,28,29);7-12,14H,3-6,13H2,1-2H3,(H,26,28,29);2*4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3,(H,25,27,28)
InChIKeyBUPFTFCEEQNDPB-UHFFFAOYSA-N
MW1928.28 g/mol
LogP15.36
Rot. Bonds26

About 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione

7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione (PubChem CID 157467012) has the molecular formula C113H114N20O11 and a molecular weight of 1928.28 g/mol. Its IUPAC name is 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
PubChem CID157467012
Molecular FormulaC113H114N20O11
Molecular Weight1928.28 g/mol
Exact Mass1926.90
IUPAC Name7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C(=O)OC)cc1N2CCCc1ccccc1.CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccc(C)cc3)c2cc1C.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1
InChIInChI=1S/C23H22N4O3.2C23H24N4O2.2C22H22N4O2/c1-14-12-18-19(13-17(14)23(29)30-3)27(11-7-10-16-8-5-4-6-9-16)21-20(26-18)22(28)25-15(2)24-21;1-4-17-13-18-19(12-15(17)3)27(11-5-6-16-9-7-14(2)8-10-16)21-20(24-18)22(28)26-23(29)25-21;1-3-5-17-11-12-19-18(14-17)24-20-21(25-23(29)26-22(20)28)27(19)13-4-6-16-9-7-15(2)8-10-16;2*1-3-15-9-10-18-17(13-15)23-19-20(24-22(28)25-21(19)27)26(18)11-5-8-16-7-4-6-14(2)12-16/h4-6,8-9,12-13H,2,7,10-11H2,1,3H3,(H,25,28);7-10,12-13H,4-6,11H2,1-3H3,(H,26,28,29);7-12,14H,3-6,13H2,1-2H3,(H,26,28,29);2*4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3,(H,25,27,28)
InChIKeyBUPFTFCEEQNDPB-UHFFFAOYSA-N
XLogP15.36
TPSA410.21 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001928.28
LogP ≤ 515.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione (CID 157467012) is 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione is C=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C(=O)OC)cc1N2CCCc1ccccc1.CCCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1ccc(C)cc1.CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCc3ccc(C)cc3)c2cc1C.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1.CCc1ccc2c(c1)nc1c(=O)[nH]c(=O)nc-1n2CCCc1cccc(C)c1.
What is the InChIKey of 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
The InChIKey is BUPFTFCEEQNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3.2C23H24N4O2.2C22H22N4O2/c1-14-12-18-19(13-17(14)23(29)30-3)27(11-7-10-16-8-5-4-6-9-16)21-20(26-18)22(28)25-15(2)24-21;1-4-17-13-18-19(12-15(17)3)27(11-5-6-16-9-7-14(2)8-10-16)21-20(24-18)22(28)26-23(29)25-21;1-3-5-17-11-12-19-18(14-17)24-20-21(25-23(29)26-22(20)28)27(19)13-4-6-16-9-7-15(2)8-10-16;2*1-3-15-9-10-18-17(13-15)23-19-20(24-22(28)25-21(19)27)26(18)11-5-8-16-7-4-6-14(2)12-16/h4-6,8-9,12-13H,2,7,10-11H2,1,3H3,(H,25,28);7-10,12-13H,4-6,11H2,1-3H3,(H,26,28,29);7-12,14H,3-6,13H2,1-2H3,(H,26,28,29);2*4,6-7,9-10,12-13H,3,5,8,11H2,1-2H3,(H,25,27,28).
What are the key properties of 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione?
7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione has a molecular weight of 1928.28 g/mol, XLogP of 15.36, 26 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-methyl-10-[3-(4-methylphenyl)propyl]benzo[g]pteridine-2,4-dione;bis(7-ethyl-10-[3-(3-methylphenyl)propyl]benzo[g]pteridine-2,4-dione);methyl 7-methyl-2-methylidene-4-oxo-10-(3-phenylpropyl)benzo[g]pteridine-8-carboxylate;10-[3-(4-methylphenyl)propyl]-7-propylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 157467012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).