5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one

C30H36ClN3O2 — CID 165030358

IUPAC5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one
SMILESCCCC(C)Oc1ccc2c(c1)n1cccc1c(=O)n2CCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H36ClN3O2/c1-3-6-22(2)36-26-12-13-27-29(21-26)33-17-4-7-28(33)30(35)34(27)18-5-16-32-19-14-24(15-20-32)23-8-10-25(31)11-9-23/h4,7-13,17,21-22,24H,3,5-6,14-16,18-20H2,1-2H3
InChIKeyFMJPJHWXGCYBCF-UHFFFAOYSA-N
MW506.09 g/mol
LogP6.74
Rot. Bonds9

About 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one

5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 165030358) has the molecular formula C30H36ClN3O2 and a molecular weight of 506.09 g/mol. Its IUPAC name is 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one
PubChem CID165030358
Molecular FormulaC30H36ClN3O2
Molecular Weight506.09 g/mol
Exact Mass505.25
IUPAC Name5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one
SMILESCCCC(C)Oc1ccc2c(c1)n1cccc1c(=O)n2CCCN1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H36ClN3O2/c1-3-6-22(2)36-26-12-13-27-29(21-26)33-17-4-7-28(33)30(35)34(27)18-5-16-32-19-14-24(15-20-32)23-8-10-25(31)11-9-23/h4,7-13,17,21-22,24H,3,5-6,14-16,18-20H2,1-2H3
InChIKeyFMJPJHWXGCYBCF-UHFFFAOYSA-N
XLogP6.74
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.09
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-aminopropoxy)-5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 135372994
5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]pyrrolo[1,2-a]quinoxalin-4-one
CID 57382073
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1-[4-[5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-4-oxopyrrolo[1,2-a]quinoxalin-8-yl]oxybutyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea
CID 135373017
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
N-[3-[1-[5-(4-bromophenoxy)-5-(4-chlorophenyl)pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048947
6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
CID 13064804
N-[(4-chlorophenyl)methyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522604

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one (CID 165030358) is 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one is CCCC(C)Oc1ccc2c(c1)n1cccc1c(=O)n2CCCN1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is FMJPJHWXGCYBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O2/c1-3-6-22(2)36-26-12-13-27-29(21-26)33-17-4-7-28(33)30(35)34(27)18-5-16-32-19-14-24(15-20-32)23-8-10-25(31)11-9-23/h4,7-13,17,21-22,24H,3,5-6,14-16,18-20H2,1-2H3.
What are the key properties of 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one?
5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 506.09 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-chlorophenyl)piperidin-1-yl]propyl]-8-pentan-2-yloxypyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 165030358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).