4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

C19H18ClN3O3 — CID 72905097

IUPAC4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C(CN1C(=O)COc2cccnc21)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C19H18ClN3O3/c20-15-5-2-1-4-14(15)13-7-9-22(10-13)17(24)11-23-18(25)12-26-16-6-3-8-21-19(16)23/h1-6,8,13H,7,9-12H2
InChIKeyDLRXRAJWPHPMMQ-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.48
Rot. Bonds3

About 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one

4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 72905097) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID72905097
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C(CN1C(=O)COc2cccnc21)N1CCC(c2ccccc2Cl)C1
InChIInChI=1S/C19H18ClN3O3/c20-15-5-2-1-4-14(15)13-7-9-22(10-13)17(24)11-23-18(25)12-26-16-6-3-8-21-19(16)23/h1-6,8,13H,7,9-12H2
InChIKeyDLRXRAJWPHPMMQ-UHFFFAOYSA-N
XLogP2.48
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 72905097) is 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is O=C(CN1C(=O)COc2cccnc21)N1CCC(c2ccccc2Cl)C1.
What is the InChIKey of 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is DLRXRAJWPHPMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-5-2-1-4-14(15)13-7-9-22(10-13)17(24)11-23-18(25)12-26-16-6-3-8-21-19(16)23/h1-6,8,13H,7,9-12H2.
What are the key properties of 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one?
4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 371.82 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 72905097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).