N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C20H18N4O3S — CID 58056357

IUPACN-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C20H18N4O3S/c1-12(25)4-6-27-17-8-15-13(3-2-5-22-15)7-16(17)24-20(26)14-10-28-18-9-21-11-23-19(14)18/h2-3,5,7-12,25H,4,6H2,1H3,(H,24,26)
InChIKeyRNCFOMCKQSBXAQ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.64
Rot. Bonds6

About N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056357) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056357
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C20H18N4O3S/c1-12(25)4-6-27-17-8-15-13(3-2-5-22-15)7-16(17)24-20(26)14-10-28-18-9-21-11-23-19(14)18/h2-3,5,7-12,25H,4,6H2,1H3,(H,24,26)
InChIKeyRNCFOMCKQSBXAQ-UHFFFAOYSA-N
XLogP3.64
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056357) is N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is CC(O)CCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is RNCFOMCKQSBXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12(25)4-6-27-17-8-15-13(3-2-5-22-15)7-16(17)24-20(26)14-10-28-18-9-21-11-23-19(14)18/h2-3,5,7-12,25H,4,6H2,1H3,(H,24,26).
What are the key properties of N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-hydroxybutoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).