N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

C23H26N4O2 — CID 164865667

IUPACN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C23H26N4O2/c1-2-7-20(28)26-21(16-8-5-10-24-15-16)18-14-19(27-12-3-4-13-27)17-9-6-11-25-22(17)23(18)29/h5-6,8-11,14-15,21,29H,2-4,7,12-13H2,1H3,(H,26,28)
InChIKeyAOJDOHOUCJNUFB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.94
Rot. Bonds6

About N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (PubChem CID 164865667) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
PubChem CID164865667
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C23H26N4O2/c1-2-7-20(28)26-21(16-8-5-10-24-15-16)18-14-19(27-12-3-4-13-27)17-9-6-11-25-22(17)23(18)29/h5-6,8-11,14-15,21,29H,2-4,7,12-13H2,1H3,(H,26,28)
InChIKeyAOJDOHOUCJNUFB-UHFFFAOYSA-N
XLogP3.94
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865676
N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865631
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide;N-[(8-hydroxy-5-pyrrol-1-ylquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 157392166
4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 171433993
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(8-hydroxy-5-methylquinolin-7-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 167170583
N-[1,3-benzodioxol-5-yl-(5-bromo-8-hydroxyquinolin-7-yl)methyl]butanamide
CID 164865661
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
7-[(butanoylamino)-pyridin-3-ylmethyl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-8-hydroxyquinoline-5-carboxamide
CID 164865658
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]-2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide
CID 164865586
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The IUPAC name of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (CID 164865667) is N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.
What is the SMILES notation for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The canonical SMILES for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is CCCC(=O)NC(c1cccnc1)c1cc(N2CCCC2)c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The InChIKey is AOJDOHOUCJNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-7-20(28)26-21(16-8-5-10-24-15-16)18-14-19(27-12-3-4-13-27)17-9-6-11-25-22(17)23(18)29/h5-6,8-11,14-15,21,29H,2-4,7,12-13H2,1H3,(H,26,28).
What are the key properties of N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide has a molecular weight of 390.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is sourced from PubChem (CID 164865667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).