7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione

C15H19N3O3 — CID 22923350

IUPAC7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(C3CCNCC3)c(=O)n(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-17-13-9-11(21-2)3-4-12(13)14(19)18(15(17)20)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyHKZJNIHWHTZMID-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.63
Rot. Bonds2

About 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione

7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione (PubChem CID 22923350) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
PubChem CID22923350
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
SMILESCOc1ccc2c(=O)n(C3CCNCC3)c(=O)n(C)c2c1
InChIInChI=1S/C15H19N3O3/c1-17-13-9-11(21-2)3-4-12(13)14(19)18(15(17)20)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyHKZJNIHWHTZMID-UHFFFAOYSA-N
XLogP0.63
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923480
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-ethyl-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 22923521
1-methyl-3-piperidin-4-yl-6-propylquinazoline-2,4-dione
CID 22923441
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride
CID 163219978
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
6-methoxy-1-methyl-3-(pyrrolidin-3-ylmethyl)quinazoline-2,4-dione
CID 117262554
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The IUPAC name of 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione (CID 22923350) is 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione.
What is the SMILES notation for 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The canonical SMILES for 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione is COc1ccc2c(=O)n(C3CCNCC3)c(=O)n(C)c2c1.
What is the InChIKey of 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
The InChIKey is HKZJNIHWHTZMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-13-9-11(21-2)3-4-12(13)14(19)18(15(17)20)10-5-7-16-8-6-10/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione?
7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione is sourced from PubChem (CID 22923350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).