4-(quinolin-2-ylmethylsulfanyl)quinazoline

C18H13N3S — CID 6919194

IUPAC4-(quinolin-2-ylmethylsulfanyl)quinazoline
SMILESc1ccc2nc(CSc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C18H13N3S/c1-3-7-16-13(5-1)9-10-14(21-16)11-22-18-15-6-2-4-8-17(15)19-12-20-18/h1-10,12H,11H2
InChIKeyOPFVQFRKHOMTLQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.47
Rot. Bonds3

About 4-(quinolin-2-ylmethylsulfanyl)quinazoline

4-(quinolin-2-ylmethylsulfanyl)quinazoline (PubChem CID 6919194) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(quinolin-2-ylmethylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(quinolin-2-ylmethylsulfanyl)quinazoline
PubChem CID6919194
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name4-(quinolin-2-ylmethylsulfanyl)quinazoline
SMILESc1ccc2nc(CSc3ncnc4ccccc34)ccc2c1
InChIInChI=1S/C18H13N3S/c1-3-7-16-13(5-1)9-10-14(21-16)11-22-18-15-6-2-4-8-17(15)19-12-20-18/h1-10,12H,11H2
InChIKeyOPFVQFRKHOMTLQ-UHFFFAOYSA-N
XLogP4.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(quinolin-2-ylmethylsulfanyl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
4-[(4-methylphenyl)methylsulfanyl]quinazoline
CID 2377234
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
CID 107524879
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(quinazolin-4-ylsulfanylmethyl)benzoic acid
CID 60625185
5-chloro-4-(quinazolin-4-ylsulfanylmethyl)thiadiazole
CID 29376689
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-2-ylmethylsulfanyl)quinazoline?
The IUPAC name of 4-(quinolin-2-ylmethylsulfanyl)quinazoline (CID 6919194) is 4-(quinolin-2-ylmethylsulfanyl)quinazoline.
What is the SMILES notation for 4-(quinolin-2-ylmethylsulfanyl)quinazoline?
The canonical SMILES for 4-(quinolin-2-ylmethylsulfanyl)quinazoline is c1ccc2nc(CSc3ncnc4ccccc34)ccc2c1.
What is the InChIKey of 4-(quinolin-2-ylmethylsulfanyl)quinazoline?
The InChIKey is OPFVQFRKHOMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-3-7-16-13(5-1)9-10-14(21-16)11-22-18-15-6-2-4-8-17(15)19-12-20-18/h1-10,12H,11H2.
What are the key properties of 4-(quinolin-2-ylmethylsulfanyl)quinazoline?
4-(quinolin-2-ylmethylsulfanyl)quinazoline has a molecular weight of 303.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-2-ylmethylsulfanyl)quinazoline is sourced from PubChem (CID 6919194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).