1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

C20H17Cl2N3O3 — CID 68857965

IUPAC1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1OC2(CCNC2)c2ccncc2N1C(=O)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H17Cl2N3O3/c21-12-1-2-13(15(22)9-12)19(4-5-19)17(26)25-16-10-23-7-3-14(16)20(28-18(25)27)6-8-24-11-20/h1-3,7,9-10,24H,4-6,8,11H2
InChIKeyCZEYRYLJABPDBS-UHFFFAOYSA-N
MW418.28 g/mol
LogP3.79
Rot. Bonds2

About 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one

1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (PubChem CID 68857965) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
PubChem CID68857965
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
SMILESO=C1OC2(CCNC2)c2ccncc2N1C(=O)C1(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H17Cl2N3O3/c21-12-1-2-13(15(22)9-12)19(4-5-19)17(26)25-16-10-23-7-3-14(16)20(28-18(25)27)6-8-24-11-20/h1-3,7,9-10,24H,4-6,8,11H2
InChIKeyCZEYRYLJABPDBS-UHFFFAOYSA-N
XLogP3.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one (CID 68857965) is 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is O=C1OC2(CCNC2)c2ccncc2N1C(=O)C1(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
The InChIKey is CZEYRYLJABPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c21-12-1-2-13(15(22)9-12)19(4-5-19)17(26)25-16-10-23-7-3-14(16)20(28-18(25)27)6-8-24-11-20/h1-3,7,9-10,24H,4-6,8,11H2.
What are the key properties of 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one?
1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one has a molecular weight of 418.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]spiro[pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one is sourced from PubChem (CID 68857965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).