N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

C20H21N3O2 — CID 164865676

IUPACN-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C)c2cccnc2c1O
InChIInChI=1S/C20H21N3O2/c1-3-6-17(24)23-18(14-7-4-9-21-12-14)16-11-13(2)15-8-5-10-22-19(15)20(16)25/h4-5,7-12,18,25H,3,6H2,1-2H3,(H,23,24)
InChIKeyLXIVAPZRCSQEKE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds5

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

N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (PubChem CID 164865676) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.

Molecular Properties

Compound NameN-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
PubChem CID164865676
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccnc1)c1cc(C)c2cccnc2c1O
InChIInChI=1S/C20H21N3O2/c1-3-6-17(24)23-18(14-7-4-9-21-12-14)16-11-13(2)15-8-5-10-22-19(15)20(16)25/h4-5,7-12,18,25H,3,6H2,1-2H3,(H,23,24)
InChIKeyLXIVAPZRCSQEKE-UHFFFAOYSA-N
XLogP3.65
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 171433993
N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865631
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865667
N-[(8-hydroxy-5-methylquinolin-7-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 167170583
N-[(8-hydroxy-5-methylquinolin-7-yl)-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 164865668
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
7-[amino(pyridin-3-yl)methyl]-5-methylquinolin-8-ol
CID 164865697
2-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]hexanamide
CID 175779724
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The IUPAC name of N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (CID 164865676) is N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.
What is the SMILES notation for N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The canonical SMILES for N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is CCCC(=O)NC(c1cccnc1)c1cc(C)c2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The InChIKey is LXIVAPZRCSQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-6-17(24)23-18(14-7-4-9-21-12-14)16-11-13(2)15-8-5-10-22-19(15)20(16)25/h4-5,7-12,18,25H,3,6H2,1-2H3,(H,23,24).
What are the key properties of N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is sourced from PubChem (CID 164865676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).