N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide

C22H23ClN2O3 — CID 40500663

IUPACN-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H23ClN2O3/c1-3-4-11-19(26)25-20(15-8-5-6-10-18(15)28-2)16-13-17(23)14-9-7-12-24-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyBUMPAWLVAKLTNJ-HXUWFJFHSA-N
MW398.89 g/mol
LogP5.00
Rot. Bonds7

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

N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide (PubChem CID 40500663) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
PubChem CID40500663
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
SMILESCCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H23ClN2O3/c1-3-4-11-19(26)25-20(15-8-5-6-10-18(15)28-2)16-13-17(23)14-9-7-12-24-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyBUMPAWLVAKLTNJ-HXUWFJFHSA-N
XLogP5.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 55.00
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-[(S)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 2294080
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 92849369
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(R)-(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]butanamide
CID 6550405
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxynaphthalen-1-yl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenanthren-9-ylmethyl]-2-phenoxyacetamide
CID 157258055
2-(4-tert-butylanilino)-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 24961826
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methylphenyl)methyl]pentanamide
CID 46499581
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 3129256
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The IUPAC name of N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide (CID 40500663) is N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide.
What is the SMILES notation for N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The canonical SMILES for N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide is CCCCC(=O)N[C@H](c1ccccc1OC)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
The InChIKey is BUMPAWLVAKLTNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-3-4-11-19(26)25-20(15-8-5-6-10-18(15)28-2)16-13-17(23)14-9-7-12-24-21(14)22(16)27/h5-10,12-13,20,27H,3-4,11H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide?
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide has a molecular weight of 398.89 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 40500663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).