(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one

C18H26N4O3 — CID 95058499

IUPAC(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCCCN1C(=O)[C@@](C)(C(=O)N2CCN(C)CC2)Oc2cccnc21
InChIInChI=1S/C18H26N4O3/c1-4-5-9-22-15-14(7-6-8-19-15)25-18(2,17(22)24)16(23)21-12-10-20(3)11-13-21/h6-8H,4-5,9-13H2,1-3H3/t18-/m1/s1
InChIKeyVPWLZHQEDOZCMY-GOSISDBHSA-N
MW346.43 g/mol
LogP1.14
Rot. Bonds4

About (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one

(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 95058499) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID95058499
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCCCN1C(=O)[C@@](C)(C(=O)N2CCN(C)CC2)Oc2cccnc21
InChIInChI=1S/C18H26N4O3/c1-4-5-9-22-15-14(7-6-8-19-15)25-18(2,17(22)24)16(23)21-12-10-20(3)11-13-21/h6-8H,4-5,9-13H2,1-3H3/t18-/m1/s1
InChIKeyVPWLZHQEDOZCMY-GOSISDBHSA-N
XLogP1.14
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one (CID 95058499) is (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one is CCCCN1C(=O)[C@@](C)(C(=O)N2CCN(C)CC2)Oc2cccnc21.
What is the InChIKey of (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is VPWLZHQEDOZCMY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-5-9-22-15-14(7-6-8-19-15)25-18(2,17(22)24)16(23)21-12-10-20(3)11-13-21/h6-8H,4-5,9-13H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one?
(2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 346.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-butyl-2-methyl-2-(4-methylpiperazine-1-carbonyl)pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 95058499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).