2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide

C24H27N5O — CID 1099165

IUPAC2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2ccccc2)CC3)CC1
InChIInChI=1S/C24H27N5O/c1-27-13-15-28(16-14-27)17-22(30)26-23-19-9-5-6-10-21(19)25-24-20(23)11-12-29(24)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30)
InChIKeyQDBWNCYERCKEBZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide (PubChem CID 1099165) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
PubChem CID1099165
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2ccccc2)CC3)CC1
InChIInChI=1S/C24H27N5O/c1-27-13-15-28(16-14-27)17-22(30)26-23-19-9-5-6-10-21(19)25-24-20(23)11-12-29(24)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30)
InChIKeyQDBWNCYERCKEBZ-UHFFFAOYSA-N
XLogP3.11
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide (CID 1099165) is 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide is CN1CCN(CC(=O)Nc2c3c(nc4ccccc24)N(c2ccccc2)CC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide?
The InChIKey is QDBWNCYERCKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-27-13-15-28(16-14-27)17-22(30)26-23-19-9-5-6-10-21(19)25-24-20(23)11-12-29(24)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide is sourced from PubChem (CID 1099165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).