4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine

C28H31N3O2 — CID 71455243

IUPAC4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1
InChIInChI=1S/C28H31N3O2/c1-4-13-33-27-10-9-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-7-5-6-8-25(20)30-28(24)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3
InChIKeyYBYGFAJBPVSJHP-UHFFFAOYSA-N
MW441.58 g/mol
LogP6.20
Rot. Bonds6

About 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine

4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine (PubChem CID 71455243) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine
PubChem CID71455243
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine
SMILESCCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1
InChIInChI=1S/C28H31N3O2/c1-4-13-33-27-10-9-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-7-5-6-8-25(20)30-28(24)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3
InChIKeyYBYGFAJBPVSJHP-UHFFFAOYSA-N
XLogP6.20
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine (CID 71455243) is 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine is CCCOc1ccc2c(C(C)C)cc(-c3cc4ccccc4nc3N3CCOCC3)cc2n1.
What is the InChIKey of 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine?
The InChIKey is YBYGFAJBPVSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-4-13-33-27-10-9-22-23(19(2)3)17-21(18-26(22)29-27)24-16-20-7-5-6-8-25(20)30-28(24)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3.
What are the key properties of 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine?
4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine has a molecular weight of 441.58 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-propan-2-yl-2-propoxyquinolin-7-yl)quinolin-2-yl]morpholine is sourced from PubChem (CID 71455243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).