7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one

C18H16ClN3O3 — CID 126785620

IUPAC7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NC3CCN(c4cccc(Cl)c4)C3=O)ccc2N1
InChIInChI=1S/C18H16ClN3O3/c19-11-2-1-3-13(8-11)22-7-6-15(18(22)24)20-12-4-5-14-16(9-12)25-10-17(23)21-14/h1-5,8-9,15,20H,6-7,10H2,(H,21,23)
InChIKeyLZUYDITXAUOCGT-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.89
Rot. Bonds3

About 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one

7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one (PubChem CID 126785620) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
PubChem CID126785620
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cc(NC3CCN(c4cccc(Cl)c4)C3=O)ccc2N1
InChIInChI=1S/C18H16ClN3O3/c19-11-2-1-3-13(8-11)22-7-6-15(18(22)24)20-12-4-5-14-16(9-12)25-10-17(23)21-14/h1-5,8-9,15,20H,6-7,10H2,(H,21,23)
InChIKeyLZUYDITXAUOCGT-UHFFFAOYSA-N
XLogP2.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126781084
7-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 126787769
5-[[(3S)-1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 97011173
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)anilino]pyrrolidin-2-one
CID 111824444
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
5-[[1-(4-chloro-2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-dihydroindol-2-one
CID 166324150
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
7-[4-(4-methylpiperidin-1-yl)anilino]-4H-1,4-benzoxazin-3-one
CID 167300314
7-[[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 99854695
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-5-nitrobenzonitrile
CID 133338522
5-[[(3R)-1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-3H-1,3-benzoxazol-2-one
CID 95774430

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one (CID 126785620) is 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one is O=C1COc2cc(NC3CCN(c4cccc(Cl)c4)C3=O)ccc2N1.
What is the InChIKey of 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
The InChIKey is LZUYDITXAUOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-11-2-1-3-13(8-11)22-7-6-15(18(22)24)20-12-4-5-14-16(9-12)25-10-17(23)21-14/h1-5,8-9,15,20H,6-7,10H2,(H,21,23).
What are the key properties of 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one?
7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one has a molecular weight of 357.80 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 126785620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).