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

C44H49N5O3 — CID 71455245

IUPAC4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C44H49N5O3/c1-6-17-52-44-37(32-24-34(28(2)3)33-11-12-42(45-40(33)26-32)48-13-18-50-19-14-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-9-7-8-10-39(30)46-43(36)49-15-20-51-21-16-49/h7-12,22-29H,6,13-21H2,1-5H3
InChIKeyVDDDFVJGUZMDIZ-UHFFFAOYSA-N
MW695.91 g/mol
LogP9.37
Rot. Bonds9

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

4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine (PubChem CID 71455245) has the molecular formula C44H49N5O3 and a molecular weight of 695.91 g/mol. Its IUPAC name is 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine
PubChem CID71455245
Molecular FormulaC44H49N5O3
Molecular Weight695.91 g/mol
Exact Mass695.38
IUPAC Name4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine
SMILESCCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1
InChIInChI=1S/C44H49N5O3/c1-6-17-52-44-37(32-24-34(28(2)3)33-11-12-42(45-40(33)26-32)48-13-18-50-19-14-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-9-7-8-10-39(30)46-43(36)49-15-20-51-21-16-49/h7-12,22-29H,6,13-21H2,1-5H3
InChIKeyVDDDFVJGUZMDIZ-UHFFFAOYSA-N
XLogP9.37
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine (CID 71455245) is 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine is CCCOc1nc2cc(-c3cc4ccccc4nc3N3CCOCC3)cc(C(C)C)c2cc1-c1cc(C(C)C)c2ccc(N3CCOCC3)nc2c1.
What is the InChIKey of 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?
The InChIKey is VDDDFVJGUZMDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49N5O3/c1-6-17-52-44-37(32-24-34(28(2)3)33-11-12-42(45-40(33)26-32)48-13-18-50-19-14-48)27-38-35(29(4)5)23-31(25-41(38)47-44)36-22-30-9-7-8-10-39(30)46-43(36)49-15-20-51-21-16-49/h7-12,22-29H,6,13-21H2,1-5H3.
What are the key properties of 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine?
4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine has a molecular weight of 695.91 g/mol, XLogP of 9.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(2-morpholin-4-yl-5-propan-2-ylquinolin-7-yl)-5-propan-2-yl-2-propoxyquinolin-7-yl]quinolin-2-yl]morpholine is sourced from PubChem (CID 71455245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).