2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline

C17H13ClFNO — CID 170368161

IUPAC2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
SMILESCc1cc(F)cc2nc(Cl)cc(OCc3ccccc3)c12
InChIInChI=1S/C17H13ClFNO/c1-11-7-13(19)8-14-17(11)15(9-16(18)20-14)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyXIDLOVXTNXAZSV-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.91
Rot. Bonds3

About 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline

2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline (PubChem CID 170368161) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
PubChem CID170368161
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline
SMILESCc1cc(F)cc2nc(Cl)cc(OCc3ccccc3)c12
InChIInChI=1S/C17H13ClFNO/c1-11-7-13(19)8-14-17(11)15(9-16(18)20-14)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyXIDLOVXTNXAZSV-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.91
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

1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
CID 22641319
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-chloro-4-[(2-fluorophenyl)methoxy]quinoline
CID 42597518
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
4-chloro-5-fluoro-7-methoxy-2-phenylmethoxyquinoline
CID 169256614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline (CID 170368161) is 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline is Cc1cc(F)cc2nc(Cl)cc(OCc3ccccc3)c12.
What is the InChIKey of 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline?
The InChIKey is XIDLOVXTNXAZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c1-11-7-13(19)8-14-17(11)15(9-16(18)20-14)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline?
2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline has a molecular weight of 301.75 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-5-methyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 170368161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).