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

C32H35N5O3 — CID 169275094

IUPAC4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)Nc2ccc3nc(OC4CCN(C)CC4)c(N4CCCC4)nc3c2)cc1
InChIInChI=1S/C32H35N5O3/c1-36-19-15-25(16-20-36)40-32-30(37-17-5-6-18-37)34-28-21-24(13-14-27(28)35-32)33-31(38)23-11-9-22(10-12-23)26-7-3-4-8-29(26)39-2/h3-4,7-14,21,25H,5-6,15-20H2,1-2H3,(H,33,38)
InChIKeyWPKNRIPEVDKILN-UHFFFAOYSA-N
MW537.66 g/mol
LogP5.63
Rot. Bonds7

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

4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide (PubChem CID 169275094) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
PubChem CID169275094
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC Name4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)Nc2ccc3nc(OC4CCN(C)CC4)c(N4CCCC4)nc3c2)cc1
InChIInChI=1S/C32H35N5O3/c1-36-19-15-25(16-20-36)40-32-30(37-17-5-6-18-37)34-28-21-24(13-14-27(28)35-32)33-31(38)23-11-9-22(10-12-23)26-7-3-4-8-29(26)39-2/h3-4,7-14,21,25H,5-6,15-20H2,1-2H3,(H,33,38)
InChIKeyWPKNRIPEVDKILN-UHFFFAOYSA-N
XLogP5.63
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275101
4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
CID 169275058
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
CID 169275069
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 118063348
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
4-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)quinoxalin-6-yl]benzamide
CID 142709338
N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
CID 11258496

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The IUPAC name of 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide (CID 169275094) is 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide is COc1ccccc1-c1ccc(C(=O)Nc2ccc3nc(OC4CCN(C)CC4)c(N4CCCC4)nc3c2)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
The InChIKey is WPKNRIPEVDKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-36-19-15-25(16-20-36)40-32-30(37-17-5-6-18-37)34-28-21-24(13-14-27(28)35-32)33-31(38)23-11-9-22(10-12-23)26-7-3-4-8-29(26)39-2/h3-4,7-14,21,25H,5-6,15-20H2,1-2H3,(H,33,38).
What are the key properties of 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide?
4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide has a molecular weight of 537.66 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide is sourced from PubChem (CID 169275094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).