4-tert-butyl-7-methoxy-2-phenylquinoline

C20H21NO — CID 59716951

IUPAC4-tert-butyl-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21NO/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19/h5-13H,1-4H3
InChIKeyZMSVYJVFXUUKKK-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.21
Rot. Bonds2

About 4-tert-butyl-7-methoxy-2-phenylquinoline

4-tert-butyl-7-methoxy-2-phenylquinoline (PubChem CID 59716951) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-tert-butyl-7-methoxy-2-phenylquinoline.

Molecular Properties

Compound Name4-tert-butyl-7-methoxy-2-phenylquinoline
PubChem CID59716951
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-tert-butyl-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C20H21NO/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19/h5-13H,1-4H3
InChIKeyZMSVYJVFXUUKKK-UHFFFAOYSA-N
XLogP5.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
N-ethyl-7-methoxy-2-phenylquinolin-4-amine
CID 144979819
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
2-(4-tert-butyl-7-methoxyquinolin-2-yl)-4-propan-2-yl-1,3-thiazole
CID 68639308
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
CID 59685790
7-(4-tert-butylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 162442478

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-methoxy-2-phenylquinoline?
The IUPAC name of 4-tert-butyl-7-methoxy-2-phenylquinoline (CID 59716951) is 4-tert-butyl-7-methoxy-2-phenylquinoline.
What is the SMILES notation for 4-tert-butyl-7-methoxy-2-phenylquinoline?
The canonical SMILES for 4-tert-butyl-7-methoxy-2-phenylquinoline is COc1ccc2c(C(C)(C)C)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-tert-butyl-7-methoxy-2-phenylquinoline?
The InChIKey is ZMSVYJVFXUUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(2,3)17-13-18(14-8-6-5-7-9-14)21-19-12-15(22-4)10-11-16(17)19/h5-13H,1-4H3.
What are the key properties of 4-tert-butyl-7-methoxy-2-phenylquinoline?
4-tert-butyl-7-methoxy-2-phenylquinoline has a molecular weight of 291.39 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-methoxy-2-phenylquinoline is sourced from PubChem (CID 59716951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).