N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide

C15H15N3O2S — CID 17198242

IUPACN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cccs2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H15N3O2S/c1-8-6-10-13(11(19)7-8)9(2)16-15(17-10)18-14(20)12-4-3-5-21-12/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyDYECFAFIERKSQA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.86
Rot. Bonds2

About N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide

N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide (PubChem CID 17198242) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide
PubChem CID17198242
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cccs2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C15H15N3O2S/c1-8-6-10-13(11(19)7-8)9(2)16-15(17-10)18-14(20)12-4-3-5-21-12/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,20)
InChIKeyDYECFAFIERKSQA-UHFFFAOYSA-N
XLogP2.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide (CID 17198242) is N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide is Cc1nc(NC(=O)c2cccs2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide?
The InChIKey is DYECFAFIERKSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-6-10-13(11(19)7-8)9(2)16-15(17-10)18-14(20)12-4-3-5-21-12/h3-5,8H,6-7H2,1-2H3,(H,16,17,18,20).
What are the key properties of N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide?
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 17198242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).