3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide

C21H21N5O3 — CID 7966351

IUPAC3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H21N5O3/c1-25-21(28)18-5-3-2-4-17(18)19(24-25)20(27)23-22-14-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)/b22-14-
InChIKeyHXXWKWOGQMOPGZ-HMAPJEAMSA-N
MW391.43 g/mol
LogP1.53
Rot. Bonds4

About 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide

3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide (PubChem CID 7966351) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
PubChem CID7966351
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
SMILESCn1nc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C21H21N5O3/c1-25-21(28)18-5-3-2-4-17(18)19(24-25)20(27)23-22-14-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)/b22-14-
InChIKeyHXXWKWOGQMOPGZ-HMAPJEAMSA-N
XLogP1.53
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135811255
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848632
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 6218648
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 42995647
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8980009
3-methyl-N-[(Z)-[(1S)-1-morpholin-4-yl-1-phenylpropan-2-ylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9231951
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
N-[(4-hydroxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 4848282
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6906036
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide (CID 7966351) is 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is Cn1nc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide?
The InChIKey is HXXWKWOGQMOPGZ-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-25-21(28)18-5-3-2-4-17(18)19(24-25)20(27)23-22-14-15-6-8-16(9-7-15)26-10-12-29-13-11-26/h2-9,14H,10-13H2,1H3,(H,23,27)/b22-14-.
What are the key properties of 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide?
3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7966351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).