2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C24H23N3O2S — CID 3227177

IUPAC2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c2c(SC(C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12
InChIInChI=1S/C24H23N3O2S/c1-15-11-12-16(2)21-20(15)24(27-22(26-21)18-8-5-4-6-9-18)30-17(3)23(28)25-14-19-10-7-13-29-19/h4-13,17H,14H2,1-3H3,(H,25,28)
InChIKeyQUPGYYVWDDAGDV-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.30
Rot. Bonds6

About 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 3227177) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID3227177
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c2c(SC(C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12
InChIInChI=1S/C24H23N3O2S/c1-15-11-12-16(2)21-20(15)24(27-22(26-21)18-8-5-4-6-9-18)30-17(3)23(28)25-14-19-10-7-13-29-19/h4-13,17H,14H2,1-3H3,(H,25,28)
InChIKeyQUPGYYVWDDAGDV-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 3227177) is 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is Cc1ccc(C)c2c(SC(C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12.
What is the InChIKey of 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is QUPGYYVWDDAGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-15-11-12-16(2)21-20(15)24(27-22(26-21)18-8-5-4-6-9-18)30-17(3)23(28)25-14-19-10-7-13-29-19/h4-13,17H,14H2,1-3H3,(H,25,28).
What are the key properties of 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 417.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-2-phenylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3227177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).