1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione

C19H20N6O3 — CID 1210300

IUPAC1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione
SMILESCn1c(=O)c2nc3c4ccccc4n(CN4CCOCC4)c3nc2n(C)c1=O
InChIInChI=1S/C19H20N6O3/c1-22-16-15(18(26)23(2)19(22)27)20-14-12-5-3-4-6-13(12)25(17(14)21-16)11-24-7-9-28-10-8-24/h3-6H,7-11H2,1-2H3
InChIKeyJAOALSMPKWCYAQ-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.42
Rot. Bonds2

About 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione

1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione (PubChem CID 1210300) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione
PubChem CID1210300
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione
SMILESCn1c(=O)c2nc3c4ccccc4n(CN4CCOCC4)c3nc2n(C)c1=O
InChIInChI=1S/C19H20N6O3/c1-22-16-15(18(26)23(2)19(22)27)20-14-12-5-3-4-6-13(12)25(17(14)21-16)11-24-7-9-28-10-8-24/h3-6H,7-11H2,1-2H3
InChIKeyJAOALSMPKWCYAQ-UHFFFAOYSA-N
XLogP0.42
TPSA87.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione?
The IUPAC name of 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione (CID 1210300) is 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione is Cn1c(=O)c2nc3c4ccccc4n(CN4CCOCC4)c3nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione?
The InChIKey is JAOALSMPKWCYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-22-16-15(18(26)23(2)19(22)27)20-14-12-5-3-4-6-13(12)25(17(14)21-16)11-24-7-9-28-10-8-24/h3-6H,7-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione?
1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione has a molecular weight of 380.41 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-10-(morpholin-4-ylmethyl)indolo[3,2-g]pteridine-2,4-dione is sourced from PubChem (CID 1210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).