2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline

C27H30N2O2 — CID 52943874

IUPAC2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline
SMILESCOc1ccc2c(CC(C)C)cc(-c3cc4c(C(C)C)cccc4nc3OC)cc2n1
InChIInChI=1S/C27H30N2O2/c1-16(2)12-18-13-19(14-25-21(18)10-11-26(28-25)30-5)22-15-23-20(17(3)4)8-7-9-24(23)29-27(22)31-6/h7-11,13-17H,12H2,1-6H3
InChIKeyGBIMPPSLQDRNPO-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.79
Rot. Bonds6

About 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline

2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline (PubChem CID 52943874) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline.

Molecular Properties

Compound Name2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline
PubChem CID52943874
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline
SMILESCOc1ccc2c(CC(C)C)cc(-c3cc4c(C(C)C)cccc4nc3OC)cc2n1
InChIInChI=1S/C27H30N2O2/c1-16(2)12-18-13-19(14-25-21(18)10-11-26(28-25)30-5)22-15-23-20(17(3)4)8-7-9-24(23)29-27(22)31-6/h7-11,13-17H,12H2,1-6H3
InChIKeyGBIMPPSLQDRNPO-UHFFFAOYSA-N
XLogP6.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline?
The IUPAC name of 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline (CID 52943874) is 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline.
What is the SMILES notation for 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline?
The canonical SMILES for 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline is COc1ccc2c(CC(C)C)cc(-c3cc4c(C(C)C)cccc4nc3OC)cc2n1.
What is the InChIKey of 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline?
The InChIKey is GBIMPPSLQDRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-16(2)12-18-13-19(14-25-21(18)10-11-26(28-25)30-5)22-15-23-20(17(3)4)8-7-9-24(23)29-27(22)31-6/h7-11,13-17H,12H2,1-6H3.
What are the key properties of 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline?
2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline has a molecular weight of 414.55 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-methoxy-5-(2-methylpropyl)quinolin-7-yl]-5-propan-2-ylquinoline is sourced from PubChem (CID 52943874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).