8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one

C28H33N5O2 — CID 71242679

IUPAC8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(CN3CC(C)OC(C)C3)cc1N2CCCc1ccccc1
InChIInChI=1S/C28H33N5O2/c1-18-13-24-25(14-23(18)17-32-15-19(2)35-20(3)16-32)33(12-8-11-22-9-6-5-7-10-22)27-26(31-24)28(34)30-21(4)29-27/h5-7,9-10,13-14,19-20H,4,8,11-12,15-17H2,1-3H3,(H,30,34)
InChIKeyPKZUJDYDFKFAKW-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.13
Rot. Bonds6

About 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one

8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one (PubChem CID 71242679) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one.

Molecular Properties

Compound Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one
PubChem CID71242679
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(CN3CC(C)OC(C)C3)cc1N2CCCc1ccccc1
InChIInChI=1S/C28H33N5O2/c1-18-13-24-25(14-23(18)17-32-15-19(2)35-20(3)16-32)33(12-8-11-22-9-6-5-7-10-22)27-26(31-24)28(34)30-21(4)29-27/h5-7,9-10,13-14,19-20H,4,8,11-12,15-17H2,1-3H3,(H,30,34)
InChIKeyPKZUJDYDFKFAKW-UHFFFAOYSA-N
XLogP3.13
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one?
The IUPAC name of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one (CID 71242679) is 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one.
What is the SMILES notation for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one?
The canonical SMILES for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one is C=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(CN3CC(C)OC(C)C3)cc1N2CCCc1ccccc1.
What is the InChIKey of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one?
The InChIKey is PKZUJDYDFKFAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-18-13-24-25(14-23(18)17-32-15-19(2)35-20(3)16-32)33(12-8-11-22-9-6-5-7-10-22)27-26(31-24)28(34)30-21(4)29-27/h5-7,9-10,13-14,19-20H,4,8,11-12,15-17H2,1-3H3,(H,30,34).
What are the key properties of 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one?
8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one has a molecular weight of 471.61 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-methyl-2-methylidene-10-(3-phenylpropyl)benzo[g]pteridin-4-one is sourced from PubChem (CID 71242679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).