6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline

C22H26N2O2 — CID 58536724

IUPAC6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline
SMILESCOc1nc(C)ccc1-c1cc(C(C)(C)C)c(OC)c2cc(C)cnc12
InChIInChI=1S/C22H26N2O2/c1-13-10-17-19(23-12-13)16(11-18(20(17)25-6)22(3,4)5)15-9-8-14(2)24-21(15)26-7/h8-12H,1-7H3
InChIKeyKBWNXZFCWXGNDS-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.23
Rot. Bonds3

About 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline

6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline (PubChem CID 58536724) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline.

Molecular Properties

Compound Name6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline
PubChem CID58536724
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline
SMILESCOc1nc(C)ccc1-c1cc(C(C)(C)C)c(OC)c2cc(C)cnc12
InChIInChI=1S/C22H26N2O2/c1-13-10-17-19(23-12-13)16(11-18(20(17)25-6)22(3,4)5)15-9-8-14(2)24-21(15)26-7/h8-12H,1-7H3
InChIKeyKBWNXZFCWXGNDS-UHFFFAOYSA-N
XLogP5.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SB 714786
CID 10287730
4-(4-Hydroxy-3-methylphenyl)quinolin-7-ol
CID 135567366
4-(7-Methoxyquinolin-4-yl)-2-methylphenol
CID 135567383
7-Benzyloxyquinoline
CID 3035604
5,7-Dimethoxy-3-(4-pyridinyl)quinoline
CID 3139
6,7-Dimethoxy-3-(4-methoxy-phenyl)-quinoline
CID 9882618
3-(3-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 9971060
5,6,7-Trimethoxy-3-pyridin-4-yl-quinoline
CID 9994707
6,7-Dimethoxy-3-((E)-styryl)-quinoline
CID 10017166
3-(4-Fluoro-phenyl)-6,7-dimethoxy-quinoline
CID 10039460
3-(2-Cyclohexyl-ethyl)-6,7-dimethoxy-quinoline
CID 10040402
6,7-Dimethoxy-3-pyridin-4-yl-quinoline
CID 10061448

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline?
The IUPAC name of 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline (CID 58536724) is 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline.
What is the SMILES notation for 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline?
The canonical SMILES for 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline is COc1nc(C)ccc1-c1cc(C(C)(C)C)c(OC)c2cc(C)cnc12.
What is the InChIKey of 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline?
The InChIKey is KBWNXZFCWXGNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13-10-17-19(23-12-13)16(11-18(20(17)25-6)22(3,4)5)15-9-8-14(2)24-21(15)26-7/h8-12H,1-7H3.
What are the key properties of 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline?
6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline has a molecular weight of 350.46 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-methoxy-8-(2-methoxy-6-methyl-3-pyridinyl)-3-methylquinoline is sourced from PubChem (CID 58536724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).