4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one

C15H23N3O3 — CID 3070290

IUPAC4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN(CC)CC(O)CN1C(=O)C(C)Oc2cccnc21
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)9-12(19)10-18-14-13(7-6-8-16-14)21-11(3)15(18)20/h6-8,11-12,19H,4-5,9-10H2,1-3H3
InChIKeyMUKRCQKHMLTQRV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.90
Rot. Bonds6

About 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one

4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 3070290) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID3070290
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCCN(CC)CC(O)CN1C(=O)C(C)Oc2cccnc21
InChIInChI=1S/C15H23N3O3/c1-4-17(5-2)9-12(19)10-18-14-13(7-6-8-16-14)21-11(3)15(18)20/h6-8,11-12,19H,4-5,9-10H2,1-3H3
InChIKeyMUKRCQKHMLTQRV-UHFFFAOYSA-N
XLogP0.90
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 3070290) is 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one is CCN(CC)CC(O)CN1C(=O)C(C)Oc2cccnc21.
What is the InChIKey of 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MUKRCQKHMLTQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-17(5-2)9-12(19)10-18-14-13(7-6-8-16-14)21-11(3)15(18)20/h6-8,11-12,19H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one?
4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)-2-hydroxypropyl]-2-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 3070290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).