8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol

C32H21Cl3N2O4 — CID 160520812

IUPAC8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol
SMILESO=Cc1cc2cccc(Cl)c2nc1Cl.O=Cc1cc2cccc(Cl)c2nc1Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C16H10ClNO2.C10H5Cl2NO.C6H6O/c17-14-8-4-5-11-9-12(10-19)16(18-15(11)14)20-13-6-2-1-3-7-13;11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8;7-6-4-2-1-3-5-6/h1-10H;1-5H;1-5,7H
InChIKeyQUFYOSMLECJZAM-UHFFFAOYSA-N
MW603.89 g/mol
LogP9.24
Rot. Bonds4

About 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol

8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol (PubChem CID 160520812) has the molecular formula C32H21Cl3N2O4 and a molecular weight of 603.89 g/mol. Its IUPAC name is 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol.

Molecular Properties

Compound Name8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol
PubChem CID160520812
Molecular FormulaC32H21Cl3N2O4
Molecular Weight603.89 g/mol
Exact Mass602.06
IUPAC Name8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol
SMILESO=Cc1cc2cccc(Cl)c2nc1Cl.O=Cc1cc2cccc(Cl)c2nc1Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C16H10ClNO2.C10H5Cl2NO.C6H6O/c17-14-8-4-5-11-9-12(10-19)16(18-15(11)14)20-13-6-2-1-3-7-13;11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8;7-6-4-2-1-3-5-6/h1-10H;1-5H;1-5,7H
InChIKeyQUFYOSMLECJZAM-UHFFFAOYSA-N
XLogP9.24
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.89
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-phenylquinoline-3-carbaldehyde
CID 86701166
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
8-benzyl-2-chloroquinoline-3-carbaldehyde
CID 18524035
5-formyl-2-methyl-6-phenoxypyridine-3-carbonitrile
CID 129031340
8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983112
2-chloro-5-phenoxybenzaldehyde
CID 131420183
2-(3-ethylphenoxy)quinoline-3-carbaldehyde
CID 28951558
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
5-hydroxy-2-phenoxybenzaldehyde
CID 125464703
2-chloro-7,8-dimethylquinoline-3-carbaldehyde
CID 788652
2-chloro-6-phenoxybenzaldehyde
CID 18663602
3-[(3-chloro-2-pyridinyl)oxy]phenol
CID 60870097

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol?
The IUPAC name of 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol (CID 160520812) is 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol.
What is the SMILES notation for 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol?
The canonical SMILES for 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol is O=Cc1cc2cccc(Cl)c2nc1Cl.O=Cc1cc2cccc(Cl)c2nc1Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol?
The InChIKey is QUFYOSMLECJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2.C10H5Cl2NO.C6H6O/c17-14-8-4-5-11-9-12(10-19)16(18-15(11)14)20-13-6-2-1-3-7-13;11-8-3-1-2-6-4-7(5-14)10(12)13-9(6)8;7-6-4-2-1-3-5-6/h1-10H;1-5H;1-5,7H.
What are the key properties of 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol?
8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol has a molecular weight of 603.89 g/mol, XLogP of 9.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenoxyquinoline-3-carbaldehyde;2,8-dichloroquinoline-3-carbaldehyde;phenol is sourced from PubChem (CID 160520812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).