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

C17H12N4O2S — CID 58056356

IUPACN-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
InChIKeyWANRGEOLLIFNBS-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.50
Rot. Bonds3

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

N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056356) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056356
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC NameN-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22)
InChIKeyWANRGEOLLIFNBS-UHFFFAOYSA-N
XLogP3.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-aminoethyl)(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056092
N-(5-(imidazo[1,2-a]pyrimidin-2-yl)-2-methoxyphenyl)thiophene-2-carboxamide
CID 7080293
(2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thienylmethoxy)cyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)but-2-enamide
CID 44428895
3-(2-(4-(4-isopropylpiperazin-1-yl)-2-methoxyphenylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)thiophene-2-carboxamide
CID 44581218
7-methoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinoline-3-carboxamide
CID 155522629
7-[2-[4-(4-ethylpiperazin-1-yl)-2-methoxyanilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
CID 162670671
7-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxy-1H-quinolin-2-one
CID 162676665
6-Hydroxymethyl-thieno[3,2-b]pyridine-3-carboxylic acid (7-methoxy-quinolin-6-yl)-amide
CID 56646548
2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056089
2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056090
2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056111
2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056114

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056356) is N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is WANRGEOLLIFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-23-14-6-12-10(3-2-4-19-12)5-13(14)21-17(22)11-8-24-15-7-18-9-20-16(11)15/h2-9H,1H3,(H,21,22).
What are the key properties of N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).