2-chloro-4-methyl-6-phenylmethoxyquinoline

C17H14ClNO — CID 82580959

IUPAC2-chloro-4-methyl-6-phenylmethoxyquinoline
SMILESCc1cc(Cl)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14ClNO/c1-12-9-17(18)19-16-8-7-14(10-15(12)16)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLYQVVBHDOPBIDA-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.78
Rot. Bonds3

About 2-chloro-4-methyl-6-phenylmethoxyquinoline

2-chloro-4-methyl-6-phenylmethoxyquinoline (PubChem CID 82580959) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-chloro-4-methyl-6-phenylmethoxyquinoline
PubChem CID82580959
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-chloro-4-methyl-6-phenylmethoxyquinoline
SMILESCc1cc(Cl)nc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H14ClNO/c1-12-9-17(18)19-16-8-7-14(10-15(12)16)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLYQVVBHDOPBIDA-UHFFFAOYSA-N
XLogP4.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287
2-methyl-1-(4-methyl-6-phenylmethoxyquinolin-2-yl)propan-2-amine
CID 82577312
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
4-chloro-6-phenylmethoxyquinoline
CID 23078431
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
2-methyl-6-phenylmethoxyquinoline
CID 82580854
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
2-methyl-6-phenylmethoxyquinoline-4-carbonitrile
CID 82573318
2-ethyl-6-phenylmethoxyquinolin-4-amine
CID 62204129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-phenylmethoxyquinoline?
The IUPAC name of 2-chloro-4-methyl-6-phenylmethoxyquinoline (CID 82580959) is 2-chloro-4-methyl-6-phenylmethoxyquinoline.
What is the SMILES notation for 2-chloro-4-methyl-6-phenylmethoxyquinoline?
The canonical SMILES for 2-chloro-4-methyl-6-phenylmethoxyquinoline is Cc1cc(Cl)nc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-chloro-4-methyl-6-phenylmethoxyquinoline?
The InChIKey is LYQVVBHDOPBIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-12-9-17(18)19-16-8-7-14(10-15(12)16)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-4-methyl-6-phenylmethoxyquinoline?
2-chloro-4-methyl-6-phenylmethoxyquinoline has a molecular weight of 283.76 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-phenylmethoxyquinoline is sourced from PubChem (CID 82580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).