7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde

C14H11N3OS — CID 174373903

IUPAC7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde
SMILESO=CC1N=CNc2cc(Sc3ccncc3)ccc21
InChIInChI=1S/C14H11N3OS/c18-8-14-12-2-1-11(7-13(12)16-9-17-14)19-10-3-5-15-6-4-10/h1-9,14H,(H,16,17)
InChIKeyPJPICEYVMQUHEW-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.93
Rot. Bonds3

About 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde

7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde (PubChem CID 174373903) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde.

Molecular Properties

Compound Name7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde
PubChem CID174373903
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde
SMILESO=CC1N=CNc2cc(Sc3ccncc3)ccc21
InChIInChI=1S/C14H11N3OS/c18-8-14-12-2-1-11(7-13(12)16-9-17-14)19-10-3-5-15-6-4-10/h1-9,14H,(H,16,17)
InChIKeyPJPICEYVMQUHEW-UHFFFAOYSA-N
XLogP2.93
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde?
The IUPAC name of 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde (CID 174373903) is 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde.
What is the SMILES notation for 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde?
The canonical SMILES for 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde is O=CC1N=CNc2cc(Sc3ccncc3)ccc21.
What is the InChIKey of 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde?
The InChIKey is PJPICEYVMQUHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-8-14-12-2-1-11(7-13(12)16-9-17-14)19-10-3-5-15-6-4-10/h1-9,14H,(H,16,17).
What are the key properties of 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde?
7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-4-ylsulfanyl-1,4-dihydroquinazoline-4-carbaldehyde is sourced from PubChem (CID 174373903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).