3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one

C28H20N4OS — CID 46821916

IUPAC3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCc3nc4ccccc4c4ccccc34)nc3ccccc3c2=O)nc1
InChIInChI=1S/C28H20N4OS/c1-18-14-15-26(29-16-18)32-27(33)22-11-5-7-13-24(22)31-28(32)34-17-25-21-10-3-2-8-19(21)20-9-4-6-12-23(20)30-25/h2-16H,17H2,1H3
InChIKeyMUWDEHNXJGAFIM-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.08
Rot. Bonds4

About 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one

3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 46821916) has the molecular formula C28H20N4OS and a molecular weight of 460.56 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
PubChem CID46821916
Molecular FormulaC28H20N4OS
Molecular Weight460.56 g/mol
Exact Mass460.14
IUPAC Name3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one
SMILESCc1ccc(-n2c(SCc3nc4ccccc4c4ccccc34)nc3ccccc3c2=O)nc1
InChIInChI=1S/C28H20N4OS/c1-18-14-15-26(29-16-18)32-27(33)22-11-5-7-13-24(22)31-28(32)34-17-25-21-10-3-2-8-19(21)20-9-4-6-12-23(20)30-25/h2-16H,17H2,1H3
InChIKeyMUWDEHNXJGAFIM-UHFFFAOYSA-N
XLogP6.08
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one 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

2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42895290
2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 17404225
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797
ethyl 2-(N-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 55321004
N-[(2S)-butan-2-yl]-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40583990
2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 55423864
3-(5-methyl-2-pyridinyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 95737542
N-(2-chloro-4-methylphenyl)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112784018
2-[2-(3-chlorophenoxy)ethylsulfanyl]-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 42984421
2-[2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 22110180
(2R)-2-[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40584034
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 133434206

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one (CID 46821916) is 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one is Cc1ccc(-n2c(SCc3nc4ccccc4c4ccccc34)nc3ccccc3c2=O)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is MUWDEHNXJGAFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4OS/c1-18-14-15-26(29-16-18)32-27(33)22-11-5-7-13-24(22)31-28(32)34-17-25-21-10-3-2-8-19(21)20-9-4-6-12-23(20)30-25/h2-16H,17H2,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one?
3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 460.56 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 46821916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).