7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

C29H28N6O2 — CID 146479542

IUPAC7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3ccn(Cc4ccccc4)n3)cc21
InChIInChI=1S/C29H28N6O2/c1-33-27-19-22(23-13-14-35(32-23)20-21-7-3-2-4-8-21)11-12-25(27)31-28(29(33)36)30-24-9-5-6-10-26(24)34-15-17-37-18-16-34/h2-14,19H,15-18,20H2,1H3,(H,30,31)
InChIKeySUFHQICOVCRQMX-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.43
Rot. Bonds6

About 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one

7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (PubChem CID 146479542) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.

Molecular Properties

Compound Name7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
PubChem CID146479542
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
SMILESCn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3ccn(Cc4ccccc4)n3)cc21
InChIInChI=1S/C29H28N6O2/c1-33-27-19-22(23-13-14-35(32-23)20-21-7-3-2-4-8-21)11-12-25(27)31-28(29(33)36)30-24-9-5-6-10-26(24)34-15-17-37-18-16-34/h2-14,19H,15-18,20H2,1H3,(H,30,31)
InChIKeySUFHQICOVCRQMX-UHFFFAOYSA-N
XLogP4.43
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-amino-1H-imidazol-5-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479484
7-imidazo[1,2-a]pyrimidin-3-yl-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one
CID 146479528
6-fluoro-1-methyl-3-(2-morpholin-4-ylanilino)-7-(1H-pyrazol-4-yl)quinoxalin-2-one
CID 146479547
7-(1-benzylpyrazol-4-yl)-6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)quinoxalin-2-one
CID 142494282
CID 159349450
CID 159349450
3-(2-morpholin-4-ylanilino)quinoxaline-2-carboxamide
CID 11175504
4-(1-benzylpyrazol-3-yl)morpholine
CID 126655269
3-N-benzyl-3-N-ethyl-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951804
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The IUPAC name of 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one (CID 146479542) is 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one.
What is the SMILES notation for 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The canonical SMILES for 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is Cn1c(=O)c(Nc2ccccc2N2CCOCC2)nc2ccc(-c3ccn(Cc4ccccc4)n3)cc21.
What is the InChIKey of 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
The InChIKey is SUFHQICOVCRQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-33-27-19-22(23-13-14-35(32-23)20-21-7-3-2-4-8-21)11-12-25(27)31-28(29(33)36)30-24-9-5-6-10-26(24)34-15-17-37-18-16-34/h2-14,19H,15-18,20H2,1H3,(H,30,31).
What are the key properties of 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one?
7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one has a molecular weight of 492.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpyrazol-3-yl)-1-methyl-3-(2-morpholin-4-ylanilino)quinoxalin-2-one is sourced from PubChem (CID 146479542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).