4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide

C32H35N5O2 — CID 169275101

IUPAC4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OC5CCN(C)CC5)c(N5CCCC5)nc4c3)cc2)cc1
InChIInChI=1S/C32H35N5O2/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)31(38)33-26-13-14-28-29(21-26)34-30(37-17-3-4-18-37)32(35-28)39-27-15-19-36(2)20-16-27/h5-14,21,27H,3-4,15-20H2,1-2H3,(H,33,38)
InChIKeyXXDVHWMMJRUPNM-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.93
Rot. Bonds6

About 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide

4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide (PubChem CID 169275101) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
PubChem CID169275101
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OC5CCN(C)CC5)c(N5CCCC5)nc4c3)cc2)cc1
InChIInChI=1S/C32H35N5O2/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)31(38)33-26-13-14-28-29(21-26)34-30(37-17-3-4-18-37)32(35-28)39-27-15-19-36(2)20-16-27/h5-14,21,27H,3-4,15-20H2,1-2H3,(H,33,38)
InChIKeyXXDVHWMMJRUPNM-UHFFFAOYSA-N
XLogP5.93
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chlorophenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275073
4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275094
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
CID 169275069
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
CID 169275058
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
CID 142709338
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-(4-methylphenyl)-N-[2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinoxalin-6-yl]benzamide
CID 66551425
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The IUPAC name of 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide (CID 169275101) is 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc4nc(OC5CCN(C)CC5)c(N5CCCC5)nc4c3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The InChIKey is XXDVHWMMJRUPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)31(38)33-26-13-14-28-29(21-26)34-30(37-17-3-4-18-37)32(35-28)39-27-15-19-36(2)20-16-27/h5-14,21,27H,3-4,15-20H2,1-2H3,(H,33,38).
What are the key properties of 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide has a molecular weight of 521.67 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide is sourced from PubChem (CID 169275101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).