7-propan-2-yloxy-8-quinolin-8-ylquinoline

C21H18N2O — CID 155531193

IUPAC7-propan-2-yloxy-8-quinolin-8-ylquinoline
SMILESCC(C)Oc1ccc2cccnc2c1-c1cccc2cccnc12
InChIInChI=1S/C21H18N2O/c1-14(2)24-18-11-10-16-8-5-13-23-21(16)19(18)17-9-3-6-15-7-4-12-22-20(15)17/h3-14H,1-2H3
InChIKeyKNYRBWKETQRRIT-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.24
Rot. Bonds3

About 7-propan-2-yloxy-8-quinolin-8-ylquinoline

7-propan-2-yloxy-8-quinolin-8-ylquinoline (PubChem CID 155531193) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 7-propan-2-yloxy-8-quinolin-8-ylquinoline.

Molecular Properties

Compound Name7-propan-2-yloxy-8-quinolin-8-ylquinoline
PubChem CID155531193
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name7-propan-2-yloxy-8-quinolin-8-ylquinoline
SMILESCC(C)Oc1ccc2cccnc2c1-c1cccc2cccnc12
InChIInChI=1S/C21H18N2O/c1-14(2)24-18-11-10-16-8-5-13-23-21(16)19(18)17-9-3-6-15-7-4-12-22-20(15)17/h3-14H,1-2H3
InChIKeyKNYRBWKETQRRIT-UHFFFAOYSA-N
XLogP5.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-8-quinolin-8-ylquinoline?
The IUPAC name of 7-propan-2-yloxy-8-quinolin-8-ylquinoline (CID 155531193) is 7-propan-2-yloxy-8-quinolin-8-ylquinoline.
What is the SMILES notation for 7-propan-2-yloxy-8-quinolin-8-ylquinoline?
The canonical SMILES for 7-propan-2-yloxy-8-quinolin-8-ylquinoline is CC(C)Oc1ccc2cccnc2c1-c1cccc2cccnc12.
What is the InChIKey of 7-propan-2-yloxy-8-quinolin-8-ylquinoline?
The InChIKey is KNYRBWKETQRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14(2)24-18-11-10-16-8-5-13-23-21(16)19(18)17-9-3-6-15-7-4-12-22-20(15)17/h3-14H,1-2H3.
What are the key properties of 7-propan-2-yloxy-8-quinolin-8-ylquinoline?
7-propan-2-yloxy-8-quinolin-8-ylquinoline has a molecular weight of 314.39 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-8-quinolin-8-ylquinoline is sourced from PubChem (CID 155531193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).