N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

C24H30N4O4 — CID 3242266

IUPACN-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12
InChIInChI=1S/C24H30N4O4/c1-5-27(6-2)15-9-14-25-23(29)22-18-10-7-8-11-19(18)24(30)28(26-22)20-13-12-17(31-3)16-21(20)32-4/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,29)
InChIKeyMCEDGJBDKVSRCX-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.86
Rot. Bonds10

About N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3242266) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3242266
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12
InChIInChI=1S/C24H30N4O4/c1-5-27(6-2)15-9-14-25-23(29)22-18-10-7-8-11-19(18)24(30)28(26-22)20-13-12-17(31-3)16-21(20)32-4/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,29)
InChIKeyMCEDGJBDKVSRCX-UHFFFAOYSA-N
XLogP2.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 758936
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
2-{[3-(2,4-Dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazin-1-YL]formamido}-N-[(furan-2-YL)methyl]acetamide
CID 9551210
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(2-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 758934
2-(2,4-dimethoxyphenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}phthalazin-1(2H)-one
CID 3240907
N-(2,4-dimethoxyphenyl)-2-methylbenzamide
CID 757144
N-[2-methoxy-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]butanamide
CID 662701
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide
CID 751867
N-(2,6-Dimethoxy-phenyl)-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 1458010
N-(3,5-dimethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 2079617
N-(3,5-dimethoxyphenyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3238487

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 3242266) is N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is CCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is MCEDGJBDKVSRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-27(6-2)15-9-14-25-23(29)22-18-10-7-8-11-19(18)24(30)28(26-22)20-13-12-17(31-3)16-21(20)32-4/h7-8,10-13,16H,5-6,9,14-15H2,1-4H3,(H,25,29).
What are the key properties of N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-(2,4-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3242266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).