N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide

C22H23N3O5 — CID 2294080

IUPACN-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C22H23N3O5/c1-3-4-11-19(26)24-20(15-8-5-6-10-18(15)30-2)16-13-17(25(28)29)14-9-7-12-23-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyAWHWKYGWHLHNDQ-HXUWFJFHSA-N
MW409.44 g/mol
LogP4.25
Rot. Bonds8

About N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide

N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide (PubChem CID 2294080) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
PubChem CID2294080
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C22H23N3O5/c1-3-4-11-19(26)24-20(15-8-5-6-10-18(15)30-2)16-13-17(25(28)29)14-9-7-12-23-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,24,26)/t20-/m1/s1
InChIKeyAWHWKYGWHLHNDQ-HXUWFJFHSA-N
XLogP4.25
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
N-[(3,4-dimethoxyphenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 2920281
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
CID 1320053
N-[(8-hydroxy-5-nitroquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
CID 2921187
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
CID 67171815
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
N-[(S)-(4-chlorophenyl)-(8-hydroxy-5-nitroquinolin-7-yl)methyl]propanamide
CID 1084548
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide
CID 2054419
7-[(R)-(3,4-dimethoxyphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate
CID 7318956
7-[(S)-(4-methoxyphenyl)-(propanoylamino)methyl]-5-nitroquinolin-8-olate
CID 7318951

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide (CID 2294080) is N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide is CCCCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The InChIKey is AWHWKYGWHLHNDQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-4-11-19(26)24-20(15-8-5-6-10-18(15)30-2)16-13-17(25(28)29)14-9-7-12-23-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,24,26)/t20-/m1/s1.
What are the key properties of N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide has a molecular weight of 409.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 2294080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).