2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine

C12H11ClN4O3 — CID 54192738

IUPAC2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine
SMILESCc1cc2occ(C=NN=C(N)NO)c(=O)c2cc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-6-2-10-8(3-9(6)13)11(18)7(5-20-10)4-15-16-12(14)17-19/h2-5,19H,1H3,(H3,14,16,17)
InChIKeyPJQLATNVFKOMTK-UHFFFAOYSA-N
MW294.70 g/mol
LogP1.38
Rot. Bonds2

About 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine

2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine (PubChem CID 54192738) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine
PubChem CID54192738
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine
SMILESCc1cc2occ(C=NN=C(N)NO)c(=O)c2cc1Cl
InChIInChI=1S/C12H11ClN4O3/c1-6-2-10-8(3-9(6)13)11(18)7(5-20-10)4-15-16-12(14)17-19/h2-5,19H,1H3,(H3,14,16,17)
InChIKeyPJQLATNVFKOMTK-UHFFFAOYSA-N
XLogP1.38
TPSA113.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 44723132
6-chloro-7-methyl-3-[2-(4-nitrophenyl)ethenyl]chromen-4-one
CID 71966386
3-(2-amino-3-hydroxypropyl)-6-chloro-7-methylchromen-4-one;hydrochloride
CID 170892270
1-hydroxy-2-[(E)-(2-methylphenyl)methylideneamino]guanidine
CID 172962285
6,7-dichloro-4-oxochromene-3-carbaldehyde
CID 57352082
2-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173024372
(E)-3-(6-chloro-7-methyl-4-oxochromen-3-yl)-2-pyridin-2-ylsulfonylprop-2-enenitrile
CID 169226681
[(E)-(6-chloro-4-oxochromen-3-yl)methylideneamino]urea
CID 6887527
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
2-[(E)-(2-bromo-5-chloro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024061
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
CID 44723237
2-amino-N-[(6-chloro-4-oxochromen-3-yl)methylideneamino]-3-methylbutanamide
CID 4585020

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine (CID 54192738) is 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine is Cc1cc2occ(C=NN=C(N)NO)c(=O)c2cc1Cl.
What is the InChIKey of 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is PJQLATNVFKOMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-6-2-10-8(3-9(6)13)11(18)7(5-20-10)4-15-16-12(14)17-19/h2-5,19H,1H3,(H3,14,16,17).
What are the key properties of 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine?
2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 294.70 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 54192738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).