6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one

C19H14N4O4 — CID 136502907

IUPAC6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCn1nc(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H14N4O4/c1-22-19(24)18-14(9-10-20-18)17(21-22)15-11-12(23(25)26)7-8-16(15)27-13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyZFPGSYNRWPYZDX-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.63
Rot. Bonds4

About 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one

6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one (PubChem CID 136502907) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one
PubChem CID136502907
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCn1nc(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H14N4O4/c1-22-19(24)18-14(9-10-20-18)17(21-22)15-11-12(23(25)26)7-8-16(15)27-13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyZFPGSYNRWPYZDX-UHFFFAOYSA-N
XLogP3.63
TPSA103.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxy-4-pyridinyl)-2-methyl-6-(5-nitro-2-phenoxyphenyl)pyridazin-3-one
CID 140623706
4-[2-(3,4-difluorophenoxy)-5-nitrophenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 86721045
4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
CID 2179824
2-methyl-4-(4-nitrophenyl)phthalazin-1-one
CID 19957132
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
N-methyl-N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]propanamide
CID 171083432
2-[5-nitro-2-(4-nitrophenoxy)phenyl]-1,3-benzoxazole
CID 134347255
(2-chloro-4-nitrophenyl) 3-methyl-4-oxophthalazine-1-carboxylate
CID 8881593
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
6-nitro-4-phenoxycinnoline
CID 22252590
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one?
The IUPAC name of 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one (CID 136502907) is 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one.
What is the SMILES notation for 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one?
The canonical SMILES for 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one is Cn1nc(-c2cc([N+](=O)[O-])ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one?
The InChIKey is ZFPGSYNRWPYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-22-19(24)18-14(9-10-20-18)17(21-22)15-11-12(23(25)26)7-8-16(15)27-13-5-3-2-4-6-13/h2-11,20H,1H3.
What are the key properties of 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one?
6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one has a molecular weight of 362.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-nitro-2-phenoxyphenyl)-1H-pyrrolo[2,3-d]pyridazin-7-one is sourced from PubChem (CID 136502907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).