1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide

C27H32N6O3 — CID 25225174

IUPAC1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCC(N4CCc5ccccc5NC4=O)CC3)ccc2n(C)c1=O
InChIInChI=1S/C27H32N6O3/c1-18-26(35)31(2)24-8-7-20(17-23(24)29-18)25(34)28-12-16-32-13-10-21(11-14-32)33-15-9-19-5-3-4-6-22(19)30-27(33)36/h3-8,17,21H,9-16H2,1-2H3,(H,28,34)(H,30,36)
InChIKeyYKINKHOCIFGXEO-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.53
Rot. Bonds5

About 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide

1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide (PubChem CID 25225174) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide
PubChem CID25225174
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCC(N4CCc5ccccc5NC4=O)CC3)ccc2n(C)c1=O
InChIInChI=1S/C27H32N6O3/c1-18-26(35)31(2)24-8-7-20(17-23(24)29-18)25(34)28-12-16-32-13-10-21(11-14-32)33-15-9-19-5-3-4-6-22(19)30-27(33)36/h3-8,17,21H,9-16H2,1-2H3,(H,28,34)(H,30,36)
InChIKeyYKINKHOCIFGXEO-UHFFFAOYSA-N
XLogP2.53
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 53058369
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
N-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53003089
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058255
N-[2-[4-(7-methoxy-2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-2-oxoethyl]-1-methylbenzimidazole-5-carboxamide
CID 71025552
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 30830104
2-cyclohexyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 53148789
4-methyl-6-[4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butanoyl]-3H-1,3-benzoxazol-2-one
CID 25226855
1,3-dimethyl-2-oxo-N-[(2S)-4-phenylbutan-2-yl]quinoxaline-6-carboxamide
CID 95065728
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
1-benzyl-3-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-oxoquinoxaline-6-carboxamide
CID 95065840
N-[(2,3-dimethoxyphenyl)methyl]-1,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 53058261

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide (CID 25225174) is 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide is Cc1nc2cc(C(=O)NCCN3CCC(N4CCc5ccccc5NC4=O)CC3)ccc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide?
The InChIKey is YKINKHOCIFGXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-18-26(35)31(2)24-8-7-20(17-23(24)29-18)25(34)28-12-16-32-13-10-21(11-14-32)33-15-9-19-5-3-4-6-22(19)30-27(33)36/h3-8,17,21H,9-16H2,1-2H3,(H,28,34)(H,30,36).
What are the key properties of 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide?
1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 25225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).