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

C20H22N4O2 — CID 171433993

IUPAC4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCc1cc(C(NC(=O)CCCN)c2cccnc2)c(O)c2ncccc12
InChIInChI=1S/C20H22N4O2/c1-13-11-16(20(26)19-15(13)6-4-10-23-19)18(14-5-3-9-22-12-14)24-17(25)7-2-8-21/h3-6,9-12,18,26H,2,7-8,21H2,1H3,(H,24,25)
InChIKeyKDBXVEOUVMRBBG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide

4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (PubChem CID 171433993) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
PubChem CID171433993
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
SMILESCc1cc(C(NC(=O)CCCN)c2cccnc2)c(O)c2ncccc12
InChIInChI=1S/C20H22N4O2/c1-13-11-16(20(26)19-15(13)6-4-10-23-19)18(14-5-3-9-22-12-14)24-17(25)7-2-8-21/h3-6,9-12,18,26H,2,7-8,21H2,1H3,(H,24,25)
InChIKeyKDBXVEOUVMRBBG-UHFFFAOYSA-N
XLogP2.59
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.59
H-Bond Donors ≤ 53
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
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865667
7-[amino(pyridin-3-yl)methyl]-5-methylquinolin-8-ol
CID 164865697
N-[(8-hydroxy-5-methylquinolin-7-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 167170583
2-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]hexanamide
CID 175779724
N-[(8-hydroxy-5-methylquinolin-7-yl)-(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]butanamide
CID 164865668
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 24957416
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The IUPAC name of 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide (CID 171433993) is 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide.
What is the SMILES notation for 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The canonical SMILES for 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is Cc1cc(C(NC(=O)CCCN)c2cccnc2)c(O)c2ncccc12.
What is the InChIKey of 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
The InChIKey is KDBXVEOUVMRBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-16(20(26)19-15(13)6-4-10-23-19)18(14-5-3-9-22-12-14)24-17(25)7-2-8-21/h3-6,9-12,18,26H,2,7-8,21H2,1H3,(H,24,25).
What are the key properties of 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide?
4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide is sourced from PubChem (CID 171433993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).