3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one

C16H22N4O2 — CID 47044415

IUPAC3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one
SMILESCc1ccc2nc(NCCN3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H22N4O2/c1-12-3-4-14-13(11-12)15(21)19(2)16(18-14)17-5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyNGUPURHYVCWMAB-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.99
Rot. Bonds4

About 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one

3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one (PubChem CID 47044415) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one
PubChem CID47044415
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one
SMILESCc1ccc2nc(NCCN3CCOCC3)n(C)c(=O)c2c1
InChIInChI=1S/C16H22N4O2/c1-12-3-4-14-13(11-12)15(21)19(2)16(18-14)17-5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyNGUPURHYVCWMAB-UHFFFAOYSA-N
XLogP0.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one?
The IUPAC name of 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one (CID 47044415) is 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one?
The canonical SMILES for 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one is Cc1ccc2nc(NCCN3CCOCC3)n(C)c(=O)c2c1.
What is the InChIKey of 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one?
The InChIKey is NGUPURHYVCWMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-4-14-13(11-12)15(21)19(2)16(18-14)17-5-6-20-7-9-22-10-8-20/h3-4,11H,5-10H2,1-2H3,(H,17,18).
What are the key properties of 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one?
3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one has a molecular weight of 302.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(2-morpholin-4-ylethylamino)quinazolin-4-one is sourced from PubChem (CID 47044415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).