4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide

C31H32ClN5O2 — CID 169275058

IUPAC4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(OCCN3CCCC3)c(N3CCCC3)nc2c1)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H32ClN5O2/c32-26-8-2-1-7-25(26)22-9-11-23(12-10-22)30(38)33-24-13-14-27-28(21-24)34-29(37-17-5-6-18-37)31(35-27)39-20-19-36-15-3-4-16-36/h1-2,7-14,21H,3-6,15-20H2,(H,33,38)
InChIKeyGEVIKDOLJRIGBF-UHFFFAOYSA-N
MW542.08 g/mol
LogP6.28
Rot. Bonds8

About 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide

4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide (PubChem CID 169275058) has the molecular formula C31H32ClN5O2 and a molecular weight of 542.08 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
PubChem CID169275058
Molecular FormulaC31H32ClN5O2
Molecular Weight542.08 g/mol
Exact Mass541.22
IUPAC Name4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide
SMILESO=C(Nc1ccc2nc(OCCN3CCCC3)c(N3CCCC3)nc2c1)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C31H32ClN5O2/c32-26-8-2-1-7-25(26)22-9-11-23(12-10-22)30(38)33-24-13-14-27-28(21-24)34-29(37-17-5-6-18-37)31(35-27)39-20-19-36-15-3-4-16-36/h1-2,7-14,21H,3-6,15-20H2,(H,33,38)
InChIKeyGEVIKDOLJRIGBF-UHFFFAOYSA-N
XLogP6.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.08
LogP ≤ 56.28
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
N-[2-[2-(dimethylamino)ethoxy]-3-piperidin-1-ylquinoxalin-6-yl]-4-(4-methoxyphenyl)benzamide
CID 169275069
4-(2-methoxyphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275094
4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275101
4-(2,4-dichlorophenyl)-N-[2-(piperidin-1-ylmethyl)quinolin-6-yl]benzamide
CID 22340272
3-(2-aminoquinazolin-6-yl)-N-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-4-methylbenzamide
CID 58829593
2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
CID 53137404
N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
CID 11258496
4-(5,6-dichloro-1H-indol-2-yl)-N-[4-methyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 44535926
4-(2-chlorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide;hydrochloride
CID 18435917
4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 90962718
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435919

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide (CID 169275058) is 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide is O=C(Nc1ccc2nc(OCCN3CCCC3)c(N3CCCC3)nc2c1)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide?
The InChIKey is GEVIKDOLJRIGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClN5O2/c32-26-8-2-1-7-25(26)22-9-11-23(12-10-22)30(38)33-24-13-14-27-28(21-24)34-29(37-17-5-6-18-37)31(35-27)39-20-19-36-15-3-4-16-36/h1-2,7-14,21H,3-6,15-20H2,(H,33,38).
What are the key properties of 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide?
4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide has a molecular weight of 542.08 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[3-pyrrolidin-1-yl-2-(2-pyrrolidin-1-ylethoxy)quinoxalin-6-yl]benzamide is sourced from PubChem (CID 169275058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).