2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide

C25H26ClN3O2 — CID 10717760

IUPAC2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15,22H,3-4,13-14,16H2,1-2H3
InChIKeyMGBJMRGOZHRJIU-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.63
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide

2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide (PubChem CID 10717760) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide
PubChem CID10717760
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C25H26ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15,22H,3-4,13-14,16H2,1-2H3
InChIKeyMGBJMRGOZHRJIU-UHFFFAOYSA-N
XLogP5.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-7777120
CID 4908365
Org27569
CID 44828492
Luotonin A
CID 10334120
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Rosettacin
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2,4-Dimethyl-pyrrolo[3,4-c]quinoline-1,3-dione
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3,4-dihydro-2-quinolone (DHQ) derivative, 10
CID 10126682
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CID 10287292
1-[2-(2,4-dichlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801005
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide (CID 10717760) is 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide?
The InChIKey is MGBJMRGOZHRJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15,22H,3-4,13-14,16H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide?
2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide has a molecular weight of 435.96 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-1-oxo-3H-pyrrolo[3,4-b]quinolin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10717760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).