4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide

C24H28N4O — CID 122556634

IUPAC4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(C)(CN1CCCC1)NC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,16-28-14-3-4-15-28)27-23(29)18-10-8-17(9-11-18)19-6-5-7-20-21(25)12-13-26-22(19)20/h5-13H,3-4,14-16H2,1-2H3,(H2,25,26)(H,27,29)
InChIKeyPXHPAJBIANMGEJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.09
Rot. Bonds5

About 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide

4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 122556634) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID122556634
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCC(C)(CN1CCCC1)NC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1
InChIInChI=1S/C24H28N4O/c1-24(2,16-28-14-3-4-15-28)27-23(29)18-10-8-17(9-11-18)19-6-5-7-20-21(25)12-13-26-22(19)20/h5-13H,3-4,14-16H2,1-2H3,(H2,25,26)(H,27,29)
InChIKeyPXHPAJBIANMGEJ-UHFFFAOYSA-N
XLogP4.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 122556634) is 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide is CC(C)(CN1CCCC1)NC(=O)c1ccc(-c2cccc3c(N)ccnc23)cc1.
What is the InChIKey of 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is PXHPAJBIANMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2,16-28-14-3-4-15-28)27-23(29)18-10-8-17(9-11-18)19-6-5-7-20-21(25)12-13-26-22(19)20/h5-13H,3-4,14-16H2,1-2H3,(H2,25,26)(H,27,29).
What are the key properties of 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide?
4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 388.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoquinolin-8-yl)-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 122556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).