quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

C25H22N2O3S — CID 18272108

IUPACquinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C25H22N2O3S/c28-25(30-17-20-9-4-8-19-10-5-11-26-23(19)20)22-16-21(18-6-2-1-3-7-18)24(31-22)27-12-14-29-15-13-27/h1-11,16H,12-15,17H2
InChIKeyHUKZFKXAOANWII-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.16
Rot. Bonds5

About quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (PubChem CID 18272108) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
PubChem CID18272108
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Namequinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
SMILESO=C(OCc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C25H22N2O3S/c28-25(30-17-20-9-4-8-19-10-5-11-26-23(19)20)22-16-21(18-6-2-1-3-7-18)24(31-22)27-12-14-29-15-13-27/h1-11,16H,12-15,17H2
InChIKeyHUKZFKXAOANWII-UHFFFAOYSA-N
XLogP5.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The IUPAC name of quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate (CID 18272108) is quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate.
What is the SMILES notation for quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The canonical SMILES for quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is O=C(OCc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
The InChIKey is HUKZFKXAOANWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c28-25(30-17-20-9-4-8-19-10-5-11-26-23(19)20)22-16-21(18-6-2-1-3-7-18)24(31-22)27-12-14-29-15-13-27/h1-11,16H,12-15,17H2.
What are the key properties of quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate?
quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate has a molecular weight of 430.53 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate is sourced from PubChem (CID 18272108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).