N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide

C21H22N2O3 — CID 6550405

IUPACN-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N[C@@H](c1ccccc1OC)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O3/c1-3-7-18(24)23-20(15-9-4-5-10-17(15)26-2)16-12-11-14-8-6-13-22-19(14)21(16)25/h4-6,8-13,20,25H,3,7H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyUQCPLKYCEZJXES-FQEVSTJZSA-N
MW350.42 g/mol
LogP3.95
Rot. Bonds6

About N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide

N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide (PubChem CID 6550405) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
PubChem CID6550405
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)N[C@@H](c1ccccc1OC)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O3/c1-3-7-18(24)23-20(15-9-4-5-10-17(15)26-2)16-12-11-14-8-6-13-22-19(14)21(16)25/h4-6,8-13,20,25H,3,7H2,1-2H3,(H,23,24)/t20-/m0/s1
InChIKeyUQCPLKYCEZJXES-FQEVSTJZSA-N
XLogP3.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.95
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

N-[(R)-furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 767453
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 40500663
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
N-[(R)-(8-hydroxyquinolin-7-yl)-(3-nitrophenyl)methyl]butanamide
CID 7064514
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
7-[(R)-(2-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 7500417
N-[(2-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide
CID 2876998
N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872334
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
[1-[(butanoylamino)-(2-methoxyphenyl)methyl]naphthalen-2-yl] acetate
CID 3129265

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide (CID 6550405) is N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide is CCCC(=O)N[C@@H](c1ccccc1OC)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide?
The InChIKey is UQCPLKYCEZJXES-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-7-18(24)23-20(15-9-4-5-10-17(15)26-2)16-12-11-14-8-6-13-22-19(14)21(16)25/h4-6,8-13,20,25H,3,7H2,1-2H3,(H,23,24)/t20-/m0/s1.
What are the key properties of N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide?
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 6550405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).