N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

C27H23Cl2N5O3 — CID 171684402

IUPACN-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(C3CCN(C(=O)c4ncc(Cl)cc4Cl)CC3)cc2)nc2ccccc21
InChIInChI=1S/C27H23Cl2N5O3/c1-33-22-5-3-2-4-21(22)32-24(26(33)36)25(35)31-19-8-6-16(7-9-19)17-10-12-34(13-11-17)27(37)23-20(29)14-18(28)15-30-23/h2-9,14-15,17H,10-13H2,1H3,(H,31,35)
InChIKeyUNNFEMDJTLEPSL-UHFFFAOYSA-N
MW536.42 g/mol
LogP4.91
Rot. Bonds4

About N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide

N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 171684402) has the molecular formula C27H23Cl2N5O3 and a molecular weight of 536.42 g/mol. Its IUPAC name is N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
PubChem CID171684402
Molecular FormulaC27H23Cl2N5O3
Molecular Weight536.42 g/mol
Exact Mass535.12
IUPAC NameN-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
SMILESCn1c(=O)c(C(=O)Nc2ccc(C3CCN(C(=O)c4ncc(Cl)cc4Cl)CC3)cc2)nc2ccccc21
InChIInChI=1S/C27H23Cl2N5O3/c1-33-22-5-3-2-4-21(22)32-24(26(33)36)25(35)31-19-8-6-16(7-9-19)17-10-12-34(13-11-17)27(37)23-20(29)14-18(28)15-30-23/h2-9,14-15,17H,10-13H2,1H3,(H,31,35)
InChIKeyUNNFEMDJTLEPSL-UHFFFAOYSA-N
XLogP4.91
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide with MolForge

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Related Compounds

3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
1-(3,5-dichloro-2-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79783281
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
CID 171698643
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
N-(3-chloro-4-methylphenyl)-4-[(3-chlorophenyl)methyl]-3-oxoquinoxaline-2-carboxamide
CID 46365084
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
CID 46979077
N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249302
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide (CID 171684402) is N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is Cn1c(=O)c(C(=O)Nc2ccc(C3CCN(C(=O)c4ncc(Cl)cc4Cl)CC3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is UNNFEMDJTLEPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N5O3/c1-33-22-5-3-2-4-21(22)32-24(26(33)36)25(35)31-19-8-6-16(7-9-19)17-10-12-34(13-11-17)27(37)23-20(29)14-18(28)15-30-23/h2-9,14-15,17H,10-13H2,1H3,(H,31,35).
What are the key properties of N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide?
N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 536.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,5-dichloropyridine-2-carbonyl)piperidin-4-yl]phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 171684402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).