4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine

C16H13ClN4O — CID 5409694

IUPAC4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1ccc(/C=N\Nc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C16H13ClN4O/c1-22-12-8-6-11(7-9-12)10-18-20-16-14-5-3-2-4-13(14)15(17)19-21-16/h2-10H,1H3,(H,20,21)/b18-10-
InChIKeyGEIHLWTVUQSSCS-ZDLGFXPLSA-N
MW312.76 g/mol
LogP3.74
Rot. Bonds4

About 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine

4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 5409694) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
PubChem CID5409694
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
SMILESCOc1ccc(/C=N\Nc2nnc(Cl)c3ccccc23)cc1
InChIInChI=1S/C16H13ClN4O/c1-22-12-8-6-11(7-9-12)10-18-20-16-14-5-3-2-4-13(14)15(17)19-21-16/h2-10H,1H3,(H,20,21)/b18-10-
InChIKeyGEIHLWTVUQSSCS-ZDLGFXPLSA-N
XLogP3.74
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-imidazol-2-yl)-N-[(4-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6822468
4-chloro-N-[(3-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 1386432
1-N,4-N-bis[(E)-(4-methylphenyl)methylideneamino]phthalazine-1,4-diamine
CID 71482556
2,6-dibromo-4-[[(4-chlorophthalazin-1-yl)hydrazinylidene]methyl]phenol
CID 3589514
N-[(2-bromophenyl)methylideneamino]-4-chlorophthalazin-1-amine
CID 1385516
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
N-[(3-methoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6831939
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
3-[(E)-[[4-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 92856506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine (CID 5409694) is 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine is COc1ccc(/C=N\Nc2nnc(Cl)c3ccccc23)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is GEIHLWTVUQSSCS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-22-12-8-6-11(7-9-12)10-18-20-16-14-5-3-2-4-13(14)15(17)19-21-16/h2-10H,1H3,(H,20,21)/b18-10-.
What are the key properties of 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine?
4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 312.76 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(4-methoxyphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 5409694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).