N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

C21H21N3O3 — CID 164865631

IUPACN-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C(C)=O)c2cccnc2c1O
InChIInChI=1S/C21H21N3O3/c1-3-6-18(26)24-19(14-7-4-9-22-12-14)17-11-16(13(2)25)15-8-5-10-23-20(15)21(17)27/h4-5,7-12,19,27H,3,6H2,1-2H3,(H,24,26)
InChIKeyFTCDXSBVGQQFIC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.54
Rot. Bonds6

About N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (PubChem CID 164865631) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.

Molecular Properties

Compound NameN-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
PubChem CID164865631
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C(C)=O)c2cccnc2c1O
InChIInChI=1S/C21H21N3O3/c1-3-6-18(26)24-19(14-7-4-9-22-12-14)17-11-16(13(2)25)15-8-5-10-23-20(15)21(17)27/h4-5,7-12,19,27H,3,6H2,1-2H3,(H,24,26)
InChIKeyFTCDXSBVGQQFIC-UHFFFAOYSA-N
XLogP3.54
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.54
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-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865667
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-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
N-[(8-hydroxy-5-methylquinolin-7-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 167170583
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(8-hydroxy-5-methylquinolin-7-yl)-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 164865668
N-[1,3-benzodioxol-5-yl-(5-bromo-8-hydroxyquinolin-7-yl)methyl]butanamide
CID 164865661
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-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The IUPAC name of N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (CID 164865631) is N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.
What is the SMILES notation for N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The canonical SMILES for N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is CCCC(=O)NC(c1cccnc1)c1cc(C(C)=O)c2cccnc2c1O.
What is the InChIKey of N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The InChIKey is FTCDXSBVGQQFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-6-18(26)24-19(14-7-4-9-22-12-14)17-11-16(13(2)25)15-8-5-10-23-20(15)21(17)27/h4-5,7-12,19,27H,3,6H2,1-2H3,(H,24,26).
What are the key properties of N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide has a molecular weight of 363.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is sourced from PubChem (CID 164865631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).