3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide

C24H23ClN2O3 — CID 173160189

IUPAC3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide
SMILESNC(=O)C(Oc1ccccc1)C(C1=CCCCC1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C24H23ClN2O3/c25-19-14-18(22(28)21-17(19)12-7-13-27-21)20(15-8-3-1-4-9-15)23(24(26)29)30-16-10-5-2-6-11-16/h2,5-8,10-14,20,23,28H,1,3-4,9H2,(H2,26,29)
InChIKeyVLGKLTNNTSJJFH-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.11
Rot. Bonds6

About 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide

3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide (PubChem CID 173160189) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide.

Molecular Properties

Compound Name3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide
PubChem CID173160189
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide
SMILESNC(=O)C(Oc1ccccc1)C(C1=CCCCC1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C24H23ClN2O3/c25-19-14-18(22(28)21-17(19)12-7-13-27-21)20(15-8-3-1-4-9-15)23(24(26)29)30-16-10-5-2-6-11-16/h2,5-8,10-14,20,23,28H,1,3-4,9H2,(H2,26,29)
InChIKeyVLGKLTNNTSJJFH-UHFFFAOYSA-N
XLogP5.11
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(2-chlorophenyl)-2-phenylpropanamide
CID 173159899
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
1-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]cyclopropane-1-carboxamide
CID 175779749
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
N-[(S)-(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methoxybenzamide
CID 7030471
[1-(5-chloro-8-hydroxyquinolin-7-yl)-2-phenylethyl]carbamic acid
CID 69307133
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
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
tert-butyl N-[3-(5-chloro-8-hydroxyquinolin-7-yl)-2,3-dihydroxypropyl]carbamate
CID 170833275

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide?
The IUPAC name of 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide (CID 173160189) is 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide.
What is the SMILES notation for 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide?
The canonical SMILES for 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide is NC(=O)C(Oc1ccccc1)C(C1=CCCCC1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide?
The InChIKey is VLGKLTNNTSJJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c25-19-14-18(22(28)21-17(19)12-7-13-27-21)20(15-8-3-1-4-9-15)23(24(26)29)30-16-10-5-2-6-11-16/h2,5-8,10-14,20,23,28H,1,3-4,9H2,(H2,26,29).
What are the key properties of 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide?
3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide has a molecular weight of 422.91 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-8-hydroxyquinolin-7-yl)-3-(cyclohexen-1-yl)-2-phenoxypropanamide is sourced from PubChem (CID 173160189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).