N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

C24H30N4O4 — CID 3244231

IUPACN-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C24H30N4O4/c1-5-27(6-2)13-9-12-25-23(29)22-20-10-7-8-11-21(20)24(30)28(26-22)17-14-18(31-3)16-19(15-17)32-4/h7-8,10-11,14-16H,5-6,9,12-13H2,1-4H3,(H,25,29)
InChIKeyFZKTYBCULIQNKK-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.86
Rot. Bonds10

About N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3244231) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID3244231
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
InChIInChI=1S/C24H30N4O4/c1-5-27(6-2)13-9-12-25-23(29)22-20-10-7-8-11-21(20)24(30)28(26-22)17-14-18(31-3)16-19(15-17)32-4/h7-8,10-11,14-16H,5-6,9,12-13H2,1-4H3,(H,25,29)
InChIKeyFZKTYBCULIQNKK-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 3244231) is N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is CCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is FZKTYBCULIQNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-5-27(6-2)13-9-12-25-23(29)22-20-10-7-8-11-21(20)24(30)28(26-22)17-14-18(31-3)16-19(15-17)32-4/h7-8,10-11,14-16H,5-6,9,12-13H2,1-4H3,(H,25,29).
What are the key properties of N-[3-(diethylamino)propyl]-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[3-(diethylamino)propyl]-3-(3,5-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-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3244231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).