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

C43H48N4O3 — CID 71451697

IUPAC4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCOCC5)nc4c3)c(OCCC)nc2c1
InChIInChI=1S/C43H48N4O3/c1-7-17-49-42-35(21-29-11-9-10-12-38(29)45-42)30-23-34(28(5)6)37-26-36(43(50-18-8-2)46-40(37)25-30)31-22-33(27(3)4)32-13-14-41(44-39(32)24-31)47-15-19-48-20-16-47/h9-14,21-28H,7-8,15-20H2,1-6H3
InChIKeyMMYHKCKKEJUSEO-UHFFFAOYSA-N
MW668.88 g/mol
LogP10.33
Rot. Bonds11

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

4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine (PubChem CID 71451697) has the molecular formula C43H48N4O3 and a molecular weight of 668.88 g/mol. Its IUPAC name is 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
PubChem CID71451697
Molecular FormulaC43H48N4O3
Molecular Weight668.88 g/mol
Exact Mass668.37
IUPAC Name4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCOCC5)nc4c3)c(OCCC)nc2c1
InChIInChI=1S/C43H48N4O3/c1-7-17-49-42-35(21-29-11-9-10-12-38(29)45-42)30-23-34(28(5)6)37-26-36(43(50-18-8-2)46-40(37)25-30)31-22-33(27(3)4)32-13-14-41(44-39(32)24-31)47-15-19-48-20-16-47/h9-14,21-28H,7-8,15-20H2,1-6H3
InChIKeyMMYHKCKKEJUSEO-UHFFFAOYSA-N
XLogP10.33
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine (CID 71451697) is 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine is CCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(N5CCOCC5)nc4c3)c(OCCC)nc2c1.
What is the InChIKey of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
The InChIKey is MMYHKCKKEJUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4O3/c1-7-17-49-42-35(21-29-11-9-10-12-38(29)45-42)30-23-34(28(5)6)37-26-36(43(50-18-8-2)46-40(37)25-30)31-22-33(27(3)4)32-13-14-41(44-39(32)24-31)47-15-19-48-20-16-47/h9-14,21-28H,7-8,15-20H2,1-6H3.
What are the key properties of 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine?
4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine has a molecular weight of 668.88 g/mol, XLogP of 10.33, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-propan-2-yl-7-[5-propan-2-yl-2-propoxy-7-(2-propoxyquinolin-3-yl)quinolin-3-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 71451697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).