N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide

C62H56N8O2 — CID 159768246

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3nc(-c4cccnc4C)cnc3c2)c2ccccc2)c(C)c1.Cc1ccc(C(NC(=O)Cc2ccc3ncc(-c4cccnc4C)nc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/2C31H28N4O/c1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)33-19-29(34-27)26-10-7-15-32-22(26)3;1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)34-29(19-33-27)26-10-7-15-32-22(26)3/h2*4-17,19,31H,18H2,1-3H3,(H,35,36)
InChIKeyNFTXUAHYYPSFGU-UHFFFAOYSA-N
MW945.18 g/mol
LogP12.13
Rot. Bonds12

About N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide (PubChem CID 159768246) has the molecular formula C62H56N8O2 and a molecular weight of 945.18 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide
PubChem CID159768246
Molecular FormulaC62H56N8O2
Molecular Weight945.18 g/mol
Exact Mass944.45
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3nc(-c4cccnc4C)cnc3c2)c2ccccc2)c(C)c1.Cc1ccc(C(NC(=O)Cc2ccc3ncc(-c4cccnc4C)nc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/2C31H28N4O/c1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)33-19-29(34-27)26-10-7-15-32-22(26)3;1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)34-29(19-33-27)26-10-7-15-32-22(26)3/h2*4-17,19,31H,18H2,1-3H3,(H,35,36)
InChIKeyNFTXUAHYYPSFGU-UHFFFAOYSA-N
XLogP12.13
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide with MolForge

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Related Compounds

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CID 44449504
15-Pgdh-IN-1
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CID 53308042
[4(3,4-Difluoro-phenyl)-piperazin-1-yl]-[(4S,4aS,8aR)-2-(2(S)-methyl-3-quinoxalin-6-yl-propyl)-decahydro-isoquinolin-4-yl]-methanone
CID 20597810
5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide
CID 25060120
N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]-2H-isoquinolin-1-one
CID 135300358
(3-Isoquinolin-6-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300436
(R)-N-(1-(4-iodophenyl)propyl)-4-((1-(quinoxalin-6-ylmethyl)piperidin-4-yl)methyl)benzamide
CID 10304239
N-(2-piperidin-1-ylethyl)-3-(8-pyridin-4-yl-1,5-naphthyridin-2-yl)benzamide
CID 145961449
N-(3,4-dimethylphenyl)-1-(6-quinoxalinylcarbonyl)-3-piperidinamine
CID 24790750
N-(4-isopropylphenyl)-1-(6-quinoxalinylcarbonyl)-3-piperidinamine
CID 24792932

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide (CID 159768246) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc3nc(-c4cccnc4C)cnc3c2)c2ccccc2)c(C)c1.Cc1ccc(C(NC(=O)Cc2ccc3ncc(-c4cccnc4C)nc3c2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide?
The InChIKey is NFTXUAHYYPSFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H28N4O/c1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)33-19-29(34-27)26-10-7-15-32-22(26)3;1-20-11-13-25(21(2)16-20)31(24-8-5-4-6-9-24)35-30(36)18-23-12-14-27-28(17-23)34-29(19-33-27)26-10-7-15-32-22(26)3/h2*4-17,19,31H,18H2,1-3H3,(H,35,36).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide has a molecular weight of 945.18 g/mol, XLogP of 12.13, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide;N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[3-(2-methyl-3-pyridinyl)quinoxalin-6-yl]acetamide is sourced from PubChem (CID 159768246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).