7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline

C37H37N3O3 — CID 52942368

IUPAC7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline
SMILESCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(OC)nc4c3)c(OC)nc2c1
InChIInChI=1S/C37H37N3O3/c1-8-43-37-29(15-23-11-9-10-12-32(23)39-37)24-17-28(22(4)5)31-20-30(36(42-7)40-34(31)19-24)25-16-27(21(2)3)26-13-14-35(41-6)38-33(26)18-25/h9-22H,8H2,1-7H3
InChIKeyRMZBJOXQEYRXRJ-UHFFFAOYSA-N
MW571.72 g/mol
LogP9.33
Rot. Bonds8

About 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline

7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline (PubChem CID 52942368) has the molecular formula C37H37N3O3 and a molecular weight of 571.72 g/mol. Its IUPAC name is 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline.

Molecular Properties

Compound Name7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline
PubChem CID52942368
Molecular FormulaC37H37N3O3
Molecular Weight571.72 g/mol
Exact Mass571.28
IUPAC Name7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline
SMILESCCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(OC)nc4c3)c(OC)nc2c1
InChIInChI=1S/C37H37N3O3/c1-8-43-37-29(15-23-11-9-10-12-32(23)39-37)24-17-28(22(4)5)31-20-30(36(42-7)40-34(31)19-24)25-16-27(21(2)3)26-13-14-35(41-6)38-33(26)18-25/h9-22H,8H2,1-7H3
InChIKeyRMZBJOXQEYRXRJ-UHFFFAOYSA-N
XLogP9.33
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline?
The IUPAC name of 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline (CID 52942368) is 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline.
What is the SMILES notation for 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline?
The canonical SMILES for 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline is CCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(OC)nc4c3)c(OC)nc2c1.
What is the InChIKey of 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline?
The InChIKey is RMZBJOXQEYRXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O3/c1-8-43-37-29(15-23-11-9-10-12-32(23)39-37)24-17-28(22(4)5)31-20-30(36(42-7)40-34(31)19-24)25-16-27(21(2)3)26-13-14-35(41-6)38-33(26)18-25/h9-22H,8H2,1-7H3.
What are the key properties of 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline?
7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline has a molecular weight of 571.72 g/mol, XLogP of 9.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyquinolin-3-yl)-2-methoxy-3-(2-methoxy-5-propan-2-ylquinolin-7-yl)-5-propan-2-ylquinoline is sourced from PubChem (CID 52942368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).