N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide

C23H19ClN2O2S — CID 67171823

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
SMILESCc1ccsc1C(NC(=O)Cc1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C23H19ClN2O2S/c1-14-9-11-29-23(14)21(26-19(27)12-15-6-3-2-4-7-15)17-13-18(24)16-8-5-10-25-20(16)22(17)28/h2-11,13,21,28H,12H2,1H3,(H,26,27)
InChIKeySLHONDVMFNMTJL-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.41
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide (PubChem CID 67171823) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
PubChem CID67171823
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
SMILESCc1ccsc1C(NC(=O)Cc1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C23H19ClN2O2S/c1-14-9-11-29-23(14)21(26-19(27)12-15-6-3-2-4-7-15)17-13-18(24)16-8-5-10-25-20(16)22(17)28/h2-11,13,21,28H,12H2,1H3,(H,26,27)
InChIKeySLHONDVMFNMTJL-UHFFFAOYSA-N
XLogP5.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.41
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-((5-chloro-8-hydroxyquinolin-7-yl)(phenyl)methyl)acetamide
CID 2921493
GNF-Pf-3257
CID 2876611
Cambridge id 6961519
CID 2920793
N-[(2,4-Dichloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-butyramide
CID 2921215
N-[(2,4-dichlorophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 2922048
N-[(5-Chloro-8-hydroxy-quinolin-7-yl)-(4-dimethylamino-phenyl)-methyl]-acetamide
CID 2922155
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]pentanamide
CID 2928736
N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-thienyl)methyl]butanamide
CID 2929884
N-[(5-Chloro-8-hydroxy-quinolin-7-yl)-p-tolyl-methyl]-acetamide
CID 2920402
N-[(2-Chloro-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-butyramide
CID 2876731
N-[(4-chlorophenyl)(8-hydroxyquinolin-7-yl)methyl]pentanamide
CID 3129251
N-[(2-chlorophenyl)(8-hydroxy-7-quinolinyl)methyl]benzamide
CID 3132206

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide (CID 67171823) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide is Cc1ccsc1C(NC(=O)Cc1ccccc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide?
The InChIKey is SLHONDVMFNMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c1-14-9-11-29-23(14)21(26-19(27)12-15-6-3-2-4-7-15)17-13-18(24)16-8-5-10-25-20(16)22(17)28/h2-11,13,21,28H,12H2,1H3,(H,26,27).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide has a molecular weight of 422.94 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 67171823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).