N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide

C18H17ClN2O2S — CID 2929884

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H17ClN2O2S/c1-2-5-15(22)21-16(14-7-4-9-24-14)12-10-13(19)11-6-3-8-20-17(11)18(12)23/h3-4,6-10,16,23H,2,5H2,1H3,(H,21,22)
InChIKeyYGWFEEPDVXIOHB-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.66
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide (PubChem CID 2929884) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
PubChem CID2929884
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide
SMILESCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H17ClN2O2S/c1-2-5-15(22)21-16(14-7-4-9-24-14)12-10-13(19)11-6-3-8-20-17(11)18(12)23/h3-4,6-10,16,23H,2,5H2,1H3,(H,21,22)
InChIKeyYGWFEEPDVXIOHB-UHFFFAOYSA-N
XLogP4.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide (CID 2929884) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide is CCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide?
The InChIKey is YGWFEEPDVXIOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-2-5-15(22)21-16(14-7-4-9-24-14)12-10-13(19)11-6-3-8-20-17(11)18(12)23/h3-4,6-10,16,23H,2,5H2,1H3,(H,21,22).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]butanamide has a molecular weight of 360.87 g/mol, XLogP of 4.66, 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)-thiophen-2-ylmethyl]butanamide is sourced from PubChem (CID 2929884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).