[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid

C18H15ClN2O3 — CID 69307133

IUPAC[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H15ClN2O3/c19-14-10-13(17(22)16-12(14)7-4-8-20-16)15(21-18(23)24)9-11-5-2-1-3-6-11/h1-8,10,15,21-22H,9H2,(H,23,24)
InChIKeyIBZFYQSAEZSLFQ-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.15
Rot. Bonds4

About [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid

[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid (PubChem CID 69307133) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid
PubChem CID69307133
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C18H15ClN2O3/c19-14-10-13(17(22)16-12(14)7-4-8-20-16)15(21-18(23)24)9-11-5-2-1-3-6-11/h1-8,10,15,21-22H,9H2,(H,23,24)
InChIKeyIBZFYQSAEZSLFQ-UHFFFAOYSA-N
XLogP4.15
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-phenylmethyl]benzamide
CID 24958912
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 67171823
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(2-chlorophenyl)-2-phenylpropanamide
CID 173159899
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]butanamide
CID 164865703
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-methylpropanamide
CID 3138762
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid?
The IUPAC name of [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid (CID 69307133) is [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid.
What is the SMILES notation for [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid?
The canonical SMILES for [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid is O=C(O)NC(Cc1ccccc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid?
The InChIKey is IBZFYQSAEZSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c19-14-10-13(17(22)16-12(14)7-4-8-20-16)15(21-18(23)24)9-11-5-2-1-3-6-11/h1-8,10,15,21-22H,9H2,(H,23,24).
What are the key properties of [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid?
[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid has a molecular weight of 342.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid is sourced from PubChem (CID 69307133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).