3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide

C14H10ClN5S — CID 107060940

IUPAC3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ncnc3ccccc23)c1Cl
InChIInChI=1S/C14H10ClN5S/c15-11-9(12(16)17)5-6-18-14(11)21-13-8-3-1-2-4-10(8)19-7-20-13/h1-7H,(H3,16,17)
InChIKeyCRTZMZVMUFJXOK-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide

3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide (PubChem CID 107060940) has the molecular formula C14H10ClN5S and a molecular weight of 315.79 g/mol. Its IUPAC name is 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
PubChem CID107060940
Molecular FormulaC14H10ClN5S
Molecular Weight315.79 g/mol
Exact Mass315.03
IUPAC Name3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ncnc3ccccc23)c1Cl
InChIInChI=1S/C14H10ClN5S/c15-11-9(12(16)17)5-6-18-14(11)21-13-8-3-1-2-4-10(8)19-7-20-13/h1-7H,(H3,16,17)
InChIKeyCRTZMZVMUFJXOK-UHFFFAOYSA-N
XLogP3.11
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107060942
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
CID 107060954
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
CID 62700957
3-chloro-2-[(3-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 107060952
3-chloro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-4-carboximidamide
CID 107060313
N'-hydroxy-4-quinazolin-4-ylsulfanylbenzenecarboximidamide
CID 60894211
2-quinazolin-4-ylsulfanylphenol
CID 62026320
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide (CID 107060940) is 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2ncnc3ccccc23)c1Cl.
What is the InChIKey of 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide?
The InChIKey is CRTZMZVMUFJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S/c15-11-9(12(16)17)5-6-18-14(11)21-13-8-3-1-2-4-10(8)19-7-20-13/h1-7H,(H3,16,17).
What are the key properties of 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide?
3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide has a molecular weight of 315.79 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide is sourced from PubChem (CID 107060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).