N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C22H20N4O3S — CID 58056160

IUPACN-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OC1CCC(O)CC1)c1csc2cncnc12
InChIInChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)
InChIKeyMURKOANUFGPGGP-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.17
Rot. Bonds4

About N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056160) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056160
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OC1CCC(O)CC1)c1csc2cncnc12
InChIInChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)
InChIKeyMURKOANUFGPGGP-UHFFFAOYSA-N
XLogP4.17
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056160) is N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc2cccnc2cc1OC1CCC(O)CC1)c1csc2cncnc12.
What is the InChIKey of N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MURKOANUFGPGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28).
What are the key properties of N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).