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

C19H16N4O3S — CID 58056319

IUPACN-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OCCCO)c1csc2cncnc12
InChIInChI=1S/C19H16N4O3S/c24-5-2-6-26-16-8-14-12(3-1-4-21-14)7-15(16)23-19(25)13-10-27-17-9-20-11-22-18(13)17/h1,3-4,7-11,24H,2,5-6H2,(H,23,25)
InChIKeyXEAUBYMYSUYGFX-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.25
Rot. Bonds6

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

N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056319) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056319
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cc2cccnc2cc1OCCCO)c1csc2cncnc12
InChIInChI=1S/C19H16N4O3S/c24-5-2-6-26-16-8-14-12(3-1-4-21-14)7-15(16)23-19(25)13-10-27-17-9-20-11-22-18(13)17/h1,3-4,7-11,24H,2,5-6H2,(H,23,25)
InChIKeyXEAUBYMYSUYGFX-UHFFFAOYSA-N
XLogP3.25
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056319) is N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is O=C(Nc1cc2cccnc2cc1OCCCO)c1csc2cncnc12.
What is the InChIKey of N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is XEAUBYMYSUYGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-5-2-6-26-16-8-14-12(3-1-4-21-14)7-15(16)23-19(25)13-10-27-17-9-20-11-22-18(13)17/h1,3-4,7-11,24H,2,5-6H2,(H,23,25).
What are the key properties of N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-hydroxypropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).