ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane

C21H30N2O2S — CID 143401531

IUPACethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane
SMILESC.CC.CCc1c(OC)ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c12
InChIInChI=1S/C18H20N2O2S.C2H6.CH4/c1-5-11-16(22-4)7-6-12-15(21)8-13(19-17(11)12)18-20-14(9-23-18)10(2)3;1-2;/h6-10H,5H2,1-4H3,(H,19,21);1-2H3;1H4
InChIKeyOBULUESRCLVDDQ-UHFFFAOYSA-N
MW374.55 g/mol
LogP6.01
Rot. Bonds4

About ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane

ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane (PubChem CID 143401531) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane.

Molecular Properties

Compound Nameethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane
PubChem CID143401531
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Nameethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane
SMILESC.CC.CCc1c(OC)ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c12
InChIInChI=1S/C18H20N2O2S.C2H6.CH4/c1-5-11-16(22-4)7-6-12-15(21)8-13(19-17(11)12)18-20-14(9-23-18)10(2)3;1-2;/h6-10H,5H2,1-4H3,(H,19,21);1-2H3;1H4
InChIKeyOBULUESRCLVDDQ-UHFFFAOYSA-N
XLogP6.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane?
The IUPAC name of ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane (CID 143401531) is ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane.
What is the SMILES notation for ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane?
The canonical SMILES for ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane is C.CC.CCc1c(OC)ccc2c(=O)cc(-c3nc(C(C)C)cs3)[nH]c12.
What is the InChIKey of ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane?
The InChIKey is OBULUESRCLVDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S.C2H6.CH4/c1-5-11-16(22-4)7-6-12-15(21)8-13(19-17(11)12)18-20-14(9-23-18)10(2)3;1-2;/h6-10H,5H2,1-4H3,(H,19,21);1-2H3;1H4.
What are the key properties of ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane?
ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane has a molecular weight of 374.55 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one;methane is sourced from PubChem (CID 143401531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).