3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

C21H21ClN4O3 — CID 44773550

IUPAC3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C21H21ClN4O3/c22-15-5-7-16(8-6-15)26-21(28)18-4-2-1-3-17(18)19(24-26)20(27)23-9-10-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27)
InChIKeyFGJFUKCFGXVOOA-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.10
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide

3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 44773550) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
PubChem CID44773550
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
InChIInChI=1S/C21H21ClN4O3/c22-15-5-7-16(8-6-15)26-21(28)18-4-2-1-3-17(18)19(24-26)20(27)23-9-10-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27)
InChIKeyFGJFUKCFGXVOOA-UHFFFAOYSA-N
XLogP2.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 4053675
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 44755743
1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 8746128
3-(4-chlorophenyl)-N,N-dimethyl-4-oxophthalazine-1-carboxamide
CID 2805926
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
4-oxo-3-phenyl-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264776
4-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835918

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide (CID 44773550) is 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is O=C(NCCN1CCOCC1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is FGJFUKCFGXVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-15-5-7-16(8-6-15)26-21(28)18-4-2-1-3-17(18)19(24-26)20(27)23-9-10-25-11-13-29-14-12-25/h1-8H,9-14H2,(H,23,27).
What are the key properties of 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide?
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 44773550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).