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

C28H31N3O2 — CID 71455246

IUPAC4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C28H31N3O2/c1-4-13-33-28-24(16-20-7-5-6-8-25(20)30-28)21-17-23(19(2)3)22-9-10-27(29-26(22)18-21)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3
InChIKeyNNSULNYBTSFDTD-UHFFFAOYSA-N
MW441.58 g/mol
LogP6.20
Rot. Bonds6

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

4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine (PubChem CID 71455246) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine
PubChem CID71455246
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C28H31N3O2/c1-4-13-33-28-24(16-20-7-5-6-8-25(20)30-28)21-17-23(19(2)3)22-9-10-27(29-26(22)18-21)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3
InChIKeyNNSULNYBTSFDTD-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-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine?
The IUPAC name of 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine (CID 71455246) is 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine?
The canonical SMILES for 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine is CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine?
The InChIKey is NNSULNYBTSFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-4-13-33-28-24(16-20-7-5-6-8-25(20)30-28)21-17-23(19(2)3)22-9-10-27(29-26(22)18-21)31-11-14-32-15-12-31/h5-10,16-19H,4,11-15H2,1-3H3.
What are the key properties of 4-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine?
4-[5-propan-2-yl-7-(2-propoxyquinolin-3-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-[5-propan-2-yl-7-(2-propoxyquinolin-3-yl)quinolin-2-yl]morpholine is sourced from PubChem (CID 71455246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).