7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one

C14H11ClN4O2 — CID 88756925

IUPAC7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1ccccc1Nc1nc(Cl)cc2cn[nH]c(=O)c12
InChIInChI=1S/C14H11ClN4O2/c1-21-10-5-3-2-4-9(10)17-13-12-8(6-11(15)18-13)7-16-19-14(12)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHOSYPEFINYSHEF-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.72
Rot. Bonds3

About 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one

7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 88756925) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID88756925
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1ccccc1Nc1nc(Cl)cc2cn[nH]c(=O)c12
InChIInChI=1S/C14H11ClN4O2/c1-21-10-5-3-2-4-9(10)17-13-12-8(6-11(15)18-13)7-16-19-14(12)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyHOSYPEFINYSHEF-UHFFFAOYSA-N
XLogP2.72
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-chloro-5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3H-pyrido[3,4-d]pyridazin-4-one
CID 90187849
5-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyanilino]-7-chloro-3H-pyrido[3,4-d]pyridazin-4-one
CID 88757197
7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59054424
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
7-(2,3-dichlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59054009
tert-butyl 4-[4-[(7-chloro-4-oxo-3H-pyrido[3,4-d]pyridazin-5-yl)amino]-3-(trifluoromethoxy)phenyl]piperazine-1-carboxylate
CID 90188013
7-(2-chloro-6-fluoroanilino)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59053641
7-(2,3-dichloro-4-fluoroanilino)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59053450
5-chloro-N-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918288
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one (CID 88756925) is 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one is COc1ccccc1Nc1nc(Cl)cc2cn[nH]c(=O)c12.
What is the InChIKey of 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is HOSYPEFINYSHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-21-10-5-3-2-4-9(10)17-13-12-8(6-11(15)18-13)7-16-19-14(12)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 302.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 88756925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).