2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline

C19H18ClNO3 — CID 10831265

IUPAC2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline
SMILESCOc1c(C)c(OC)c2nc(Cl)cc(-c3ccccc3)c2c1OC
InChIInChI=1S/C19H18ClNO3/c1-11-17(22-2)16-15(19(24-4)18(11)23-3)13(10-14(20)21-16)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPVAVGRNOGXOWSX-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.89
Rot. Bonds4

About 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline

2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline (PubChem CID 10831265) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline
PubChem CID10831265
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline
SMILESCOc1c(C)c(OC)c2nc(Cl)cc(-c3ccccc3)c2c1OC
InChIInChI=1S/C19H18ClNO3/c1-11-17(22-2)16-15(19(24-4)18(11)23-3)13(10-14(20)21-16)12-8-6-5-7-9-12/h5-10H,1-4H3
InChIKeyPVAVGRNOGXOWSX-UHFFFAOYSA-N
XLogP4.89
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-3-methyl-4-phenylpyridine
CID 15154293
1,2,4,5-tetramethoxy-3-methyl-6-phenylbenzene
CID 90709146
2-chloro-8-methoxy-7-methyl-4-phenylquinoline-5,6-dione
CID 10638957
8-bromo-2-chloro-4-phenylquinoline
CID 43322933
3,4-dichloro-2-methoxy-5-phenylphenol
CID 133083818
3-chloro-1-(chloromethyl)-2-methoxy-4-phenylbenzene
CID 175927011
2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
CID 15154294
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
CID 147902907
2-methoxy-1,3-diphenylbenzene
CID 23524590
2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
4-chloro-2-methoxy-5-phenylphenol
CID 132557870

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline?
The IUPAC name of 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline (CID 10831265) is 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline.
What is the SMILES notation for 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline?
The canonical SMILES for 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline is COc1c(C)c(OC)c2nc(Cl)cc(-c3ccccc3)c2c1OC.
What is the InChIKey of 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline?
The InChIKey is PVAVGRNOGXOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-11-17(22-2)16-15(19(24-4)18(11)23-3)13(10-14(20)21-16)12-8-6-5-7-9-12/h5-10H,1-4H3.
What are the key properties of 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline?
2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline has a molecular weight of 343.81 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,8-trimethoxy-7-methyl-4-phenylquinoline is sourced from PubChem (CID 10831265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).