4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide

C27H27N5O2 — CID 142709338

IUPAC4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4nc(N5CCN(C)CC5)cnc4c3)cc2)cc1
InChIInChI=1S/C27H27N5O2/c1-31-13-15-32(16-14-31)26-18-28-25-17-22(9-12-24(25)30-26)29-27(33)21-5-3-19(4-6-21)20-7-10-23(34-2)11-8-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,33)
InChIKeyATYPRWNXLCTBOS-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.31
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide

4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide (PubChem CID 142709338) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
PubChem CID142709338
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc4nc(N5CCN(C)CC5)cnc4c3)cc2)cc1
InChIInChI=1S/C27H27N5O2/c1-31-13-15-32(16-14-31)26-18-28-25-17-22(9-12-24(25)30-26)29-27(33)21-5-3-19(4-6-21)20-7-10-23(34-2)11-8-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,33)
InChIKeyATYPRWNXLCTBOS-UHFFFAOYSA-N
XLogP4.31
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoxalin-6-yl]-4-[3-(trifluoromethyl)phenyl]benzamide
CID 66551224
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
CID 169275069
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
4-(4-methylphenyl)-N-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinoxalin-6-yl]benzamide
CID 66551425

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide (CID 142709338) is 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide is COc1ccc(-c2ccc(C(=O)Nc3ccc4nc(N5CCN(C)CC5)cnc4c3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide?
The InChIKey is ATYPRWNXLCTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-31-13-15-32(16-14-31)26-18-28-25-17-22(9-12-24(25)30-26)29-27(33)21-5-3-19(4-6-21)20-7-10-23(34-2)11-8-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,33).
What are the key properties of 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide?
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide has a molecular weight of 453.55 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide is sourced from PubChem (CID 142709338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).