N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide

C21H17N3O2S — CID 32987474

IUPACN-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-10-11-27-19(14)12-22-20(25)15-6-8-16(9-7-15)24-13-23-18-5-3-2-4-17(18)21(24)26/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyMIUCPCHFSQJRHV-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.69
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide

N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide (PubChem CID 32987474) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
PubChem CID32987474
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
SMILESCc1ccsc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H17N3O2S/c1-14-10-11-27-19(14)12-22-20(25)15-6-8-16(9-7-15)24-13-23-18-5-3-2-4-17(18)21(24)26/h2-11,13H,12H2,1H3,(H,22,25)
InChIKeyMIUCPCHFSQJRHV-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide (CID 32987474) is N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide is Cc1ccsc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide?
The InChIKey is MIUCPCHFSQJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-10-11-27-19(14)12-22-20(25)15-6-8-16(9-7-15)24-13-23-18-5-3-2-4-17(18)21(24)26/h2-11,13H,12H2,1H3,(H,22,25).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide?
N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide has a molecular weight of 375.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 32987474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).