(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone

C15H13N3OS — CID 19757067

IUPAC(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone
SMILESCSC1=NCc2cc(C(=O)c3cccnc3)ccc2N1
InChIInChI=1S/C15H13N3OS/c1-20-15-17-9-12-7-10(4-5-13(12)18-15)14(19)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGNESQNSUYDREKU-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.96
Rot. Bonds2

About (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone

(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone (PubChem CID 19757067) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone
PubChem CID19757067
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone
SMILESCSC1=NCc2cc(C(=O)c3cccnc3)ccc2N1
InChIInChI=1S/C15H13N3OS/c1-20-15-17-9-12-7-10(4-5-13(12)18-15)14(19)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyGNESQNSUYDREKU-UHFFFAOYSA-N
XLogP2.96
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone 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-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 167764140
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
methylsulfanyl pyridine-3-carboxylate
CID 143338769
2,3-dihydro-1H-indol-5-yl(pyrimidin-5-yl)methanone
CID 116554112
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone?
The IUPAC name of (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone (CID 19757067) is (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone is CSC1=NCc2cc(C(=O)c3cccnc3)ccc2N1.
What is the InChIKey of (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone?
The InChIKey is GNESQNSUYDREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-20-15-17-9-12-7-10(4-5-13(12)18-15)14(19)11-3-2-6-16-8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone?
(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 19757067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).