3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

C19H13N5O4 — CID 136719030

IUPAC3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C19H13N5O4/c25-17-8-5-11-9-12(24(27)28)6-7-13(11)14(17)10-20-23-18-19(26)22-16-4-2-1-3-15(16)21-18/h1-10,25H,(H,21,23)(H,22,26)/b20-10-
InChIKeyLNAJSQYRZSRGJL-JMIUGGIZSA-N
MW375.34 g/mol
LogP3.14
Rot. Bonds4

About 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one

3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (PubChem CID 136719030) has the molecular formula C19H13N5O4 and a molecular weight of 375.34 g/mol. Its IUPAC name is 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
PubChem CID136719030
Molecular FormulaC19H13N5O4
Molecular Weight375.34 g/mol
Exact Mass375.10
IUPAC Name3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C19H13N5O4/c25-17-8-5-11-9-12(24(27)28)6-7-13(11)14(17)10-20-23-18-19(26)22-16-4-2-1-3-15(16)21-18/h1-10,25H,(H,21,23)(H,22,26)/b20-10-
InChIKeyLNAJSQYRZSRGJL-JMIUGGIZSA-N
XLogP3.14
TPSA133.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352
2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135890916
1-[[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-nitronaphthalen-2-ol
CID 4166602
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
6-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 135504466
1-[[4-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-6-nitronaphthalen-2-ol
CID 2297632
3-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 6004069
3-[(2Z)-2-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-8-[(Z)-[(3-oxo-4H-quinoxalin-2-yl)hydrazinylidene]methyl]-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136818066
3-(methylamino)-6-nitro-1H-quinoxalin-2-one
CID 101049374
3-chloro-N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135822128

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one (CID 136719030) is 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
The InChIKey is LNAJSQYRZSRGJL-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H13N5O4/c25-17-8-5-11-9-12(24(27)28)6-7-13(11)14(17)10-20-23-18-19(26)22-16-4-2-1-3-15(16)21-18/h1-10,25H,(H,21,23)(H,22,26)/b20-10-.
What are the key properties of 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one?
3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one has a molecular weight of 375.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 136719030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).