2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone

C23H28N4O4S — CID 88583677

IUPAC2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone
SMILESCCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H28N4O4S/c1-4-30-21-12-19(20-14-32-23(26-20)24-15(2)3)25-18-11-16(5-6-17(18)21)31-13-22(28)27-7-9-29-10-8-27/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,24,26)
InChIKeyGODCROXIBFPSKF-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.81
Rot. Bonds8

About 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone

2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone (PubChem CID 88583677) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone
PubChem CID88583677
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC Name2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone
SMILESCCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H28N4O4S/c1-4-30-21-12-19(20-14-32-23(26-20)24-15(2)3)25-18-11-16(5-6-17(18)21)31-13-22(28)27-7-9-29-10-8-27/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,24,26)
InChIKeyGODCROXIBFPSKF-UHFFFAOYSA-N
XLogP3.81
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone (CID 88583677) is 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone is CCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCC(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone?
The InChIKey is GODCROXIBFPSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-4-30-21-12-19(20-14-32-23(26-20)24-15(2)3)25-18-11-16(5-6-17(18)21)31-13-22(28)27-7-9-29-10-8-27/h5-6,11-12,14-15H,4,7-10,13H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone?
2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone has a molecular weight of 456.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 88583677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).