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

C19H17N5O2S — CID 58056168

IUPACN-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C19H17N5O2S/c20-4-2-6-26-16-8-14-12(3-1-5-22-14)7-15(16)24-19(25)13-10-27-17-9-21-11-23-18(13)17/h1,3,5,7-11H,2,4,6,20H2,(H,24,25)
InChIKeyTUAJTUKIIJXVON-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.22
Rot. Bonds6

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

N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056168) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056168
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC NameN-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESNCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C19H17N5O2S/c20-4-2-6-26-16-8-14-12(3-1-5-22-14)7-15(16)24-19(25)13-10-27-17-9-21-11-23-18(13)17/h1,3,5,7-11H,2,4,6,20H2,(H,24,25)
InChIKeyTUAJTUKIIJXVON-UHFFFAOYSA-N
XLogP3.22
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.22
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-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056168) is N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is TUAJTUKIIJXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c20-4-2-6-26-16-8-14-12(3-1-5-22-14)7-15(16)24-19(25)13-10-27-17-9-21-11-23-18(13)17/h1,3,5,7-11H,2,4,6,20H2,(H,24,25).
What are the key properties of N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).