7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one

C18H17N5O2 — CID 56740493

IUPAC7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one
SMILESCCc1ncc2c(n1)CN(C(=O)c1ccc3c(=O)n(C)cnc3c1)C2
InChIInChI=1S/C18H17N5O2/c1-3-16-19-7-12-8-23(9-15(12)21-16)17(24)11-4-5-13-14(6-11)20-10-22(2)18(13)25/h4-7,10H,3,8-9H2,1-2H3
InChIKeyHYRLJRXFVAHHQH-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.44
Rot. Bonds2

About 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one

7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one (PubChem CID 56740493) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one
PubChem CID56740493
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one
SMILESCCc1ncc2c(n1)CN(C(=O)c1ccc3c(=O)n(C)cnc3c1)C2
InChIInChI=1S/C18H17N5O2/c1-3-16-19-7-12-8-23(9-15(12)21-16)17(24)11-4-5-13-14(6-11)20-10-22(2)18(13)25/h4-7,10H,3,8-9H2,1-2H3
InChIKeyHYRLJRXFVAHHQH-UHFFFAOYSA-N
XLogP1.44
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one?
The IUPAC name of 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one (CID 56740493) is 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one.
What is the SMILES notation for 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one?
The canonical SMILES for 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one is CCc1ncc2c(n1)CN(C(=O)c1ccc3c(=O)n(C)cnc3c1)C2.
What is the InChIKey of 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one?
The InChIKey is HYRLJRXFVAHHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-3-16-19-7-12-8-23(9-15(12)21-16)17(24)11-4-5-13-14(6-11)20-10-22(2)18(13)25/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one?
7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)-3-methylquinazolin-4-one is sourced from PubChem (CID 56740493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).