N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

C24H24ClN5O5 — CID 126478584

IUPACN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C24H24ClN5O5/c1-35-19-7-6-15(12-18(19)25)30-24(34)17-5-3-2-4-16(17)21(28-30)23(33)27-13-20(31)29-10-8-14(9-11-29)22(26)32/h2-7,12,14H,8-11,13H2,1H3,(H2,26,32)(H,27,33)
InChIKeyCAFSZJAGUIYQKL-UHFFFAOYSA-N
MW497.94 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide

N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 126478584) has the molecular formula C24H24ClN5O5 and a molecular weight of 497.94 g/mol. Its IUPAC name is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID126478584
Molecular FormulaC24H24ClN5O5
Molecular Weight497.94 g/mol
Exact Mass497.15
IUPAC NameN-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C24H24ClN5O5/c1-35-19-7-6-15(12-18(19)25)30-24(34)17-5-3-2-4-16(17)21(28-30)23(33)27-13-20(31)29-10-8-14(9-11-29)22(26)32/h2-7,12,14H,8-11,13H2,1H3,(H2,26,32)(H,27,33)
InChIKeyCAFSZJAGUIYQKL-UHFFFAOYSA-N
XLogP1.50
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.94
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide with MolForge

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 22334112
3-(3,4-dimethoxyphenyl)-4-oxo-N-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 22334121
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]phthalazine-1-carboxamide
CID 11957249
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 3612931
methyl 2-[[2-[[3-(3,4-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetyl]amino]acetate
CID 22334171
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20858127
3-(3,4-dimethoxyphenyl)-N-[2-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 22334172
N-(3,4-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26364775
1-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
CID 45495121
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 126478584) is N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)N3CCC(C(N)=O)CC3)c3ccccc3c2=O)cc1Cl.
What is the InChIKey of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is CAFSZJAGUIYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5/c1-35-19-7-6-15(12-18(19)25)30-24(34)17-5-3-2-4-16(17)21(28-30)23(33)27-13-20(31)29-10-8-14(9-11-29)22(26)32/h2-7,12,14H,8-11,13H2,1H3,(H2,26,32)(H,27,33).
What are the key properties of N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 497.94 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-3-(3-chloro-4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 126478584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).