4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine

C43H47N5O3 — CID 71458896

IUPAC4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C43H47N5O3/c1-6-51-43-36(31-23-33(27(2)3)32-11-12-41(44-39(32)25-31)47-13-17-49-18-14-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-9-7-8-10-38(29)45-42(35)48-15-19-50-20-16-48/h7-12,21-28H,6,13-20H2,1-5H3
InChIKeyGNNUUFYDQPEQDT-UHFFFAOYSA-N
MW681.88 g/mol
LogP8.98
Rot. Bonds8

About 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine

4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine (PubChem CID 71458896) has the molecular formula C43H47N5O3 and a molecular weight of 681.88 g/mol. Its IUPAC name is 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine
PubChem CID71458896
Molecular FormulaC43H47N5O3
Molecular Weight681.88 g/mol
Exact Mass681.37
IUPAC Name4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine
SMILESCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C43H47N5O3/c1-6-51-43-36(31-23-33(27(2)3)32-11-12-41(44-39(32)25-31)47-13-17-49-18-14-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-9-7-8-10-38(29)45-42(35)48-15-19-50-20-16-48/h7-12,21-28H,6,13-20H2,1-5H3
InChIKeyGNNUUFYDQPEQDT-UHFFFAOYSA-N
XLogP8.98
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.88
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine (CID 71458896) is 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine is CCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine?
The InChIKey is GNNUUFYDQPEQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47N5O3/c1-6-51-43-36(31-23-33(27(2)3)32-11-12-41(44-39(32)25-31)47-13-17-49-18-14-47)26-37-34(28(4)5)22-30(24-40(37)46-43)35-21-29-9-7-8-10-38(29)45-42(35)48-15-19-50-20-16-48/h7-12,21-28H,6,13-20H2,1-5H3.
What are the key properties of 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine?
4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine has a molecular weight of 681.88 g/mol, XLogP of 8.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-ethoxy-3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinolin-7-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 71458896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).