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

C24H27N5O — CID 1142495

IUPACN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O/c1-27-12-11-20-23(19-9-5-6-10-21(19)25-24(20)27)26-22(30)17-28-13-15-29(16-14-28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30)
InChIKeyMFVMNUFCTINRIV-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.99
Rot. Bonds4

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

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 1142495) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID1142495
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N5O/c1-27-12-11-20-23(19-9-5-6-10-21(19)25-24(20)27)26-22(30)17-28-13-15-29(16-14-28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30)
InChIKeyMFVMNUFCTINRIV-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 1142495) is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide is CN1CCc2c1nc1ccccc1c2NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is MFVMNUFCTINRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-27-12-11-20-23(19-9-5-6-10-21(19)25-24(20)27)26-22(30)17-28-13-15-29(16-14-28)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,26,30).
What are the key properties of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1142495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).