2,4-dichloro-8-methoxy-3-phenylquinoline

C16H11Cl2NO — CID 2780585

IUPAC2,4-dichloro-8-methoxy-3-phenylquinoline
SMILESCOc1cccc2c(Cl)c(-c3ccccc3)c(Cl)nc12
InChIInChI=1S/C16H11Cl2NO/c1-20-12-9-5-8-11-14(17)13(16(18)19-15(11)12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyHCBGBBAKJVKMPV-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.22
Rot. Bonds2

About 2,4-dichloro-8-methoxy-3-phenylquinoline

2,4-dichloro-8-methoxy-3-phenylquinoline (PubChem CID 2780585) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 2,4-dichloro-8-methoxy-3-phenylquinoline.

Molecular Properties

Compound Name2,4-dichloro-8-methoxy-3-phenylquinoline
PubChem CID2780585
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name2,4-dichloro-8-methoxy-3-phenylquinoline
SMILESCOc1cccc2c(Cl)c(-c3ccccc3)c(Cl)nc12
InChIInChI=1S/C16H11Cl2NO/c1-20-12-9-5-8-11-14(17)13(16(18)19-15(11)12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyHCBGBBAKJVKMPV-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.22
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

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
2,4-dichloro-6-fluoro-3-phenylquinoline
CID 2780763
4-chloro-6-methoxy-2,3-dihydrofuro[3,2-c]quinoline
CID 15749818
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
(8-methoxy-2-phenylquinolin-4-yl)hydrazine
CID 62252630
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
1-methoxy-9,10-diphenylphenanthrene
CID 11439822
8-methoxy-N,2-diphenylquinolin-4-amine
CID 91032667
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-methoxy-3-phenylquinoline?
The IUPAC name of 2,4-dichloro-8-methoxy-3-phenylquinoline (CID 2780585) is 2,4-dichloro-8-methoxy-3-phenylquinoline.
What is the SMILES notation for 2,4-dichloro-8-methoxy-3-phenylquinoline?
The canonical SMILES for 2,4-dichloro-8-methoxy-3-phenylquinoline is COc1cccc2c(Cl)c(-c3ccccc3)c(Cl)nc12.
What is the InChIKey of 2,4-dichloro-8-methoxy-3-phenylquinoline?
The InChIKey is HCBGBBAKJVKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-20-12-9-5-8-11-14(17)13(16(18)19-15(11)12)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 2,4-dichloro-8-methoxy-3-phenylquinoline?
2,4-dichloro-8-methoxy-3-phenylquinoline has a molecular weight of 304.18 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-methoxy-3-phenylquinoline is sourced from PubChem (CID 2780585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).