N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide

C16H15N3O2S — CID 3775639

IUPACN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C1CC(c2cccs2)Cc2nc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C16H15N3O2S/c20-13-7-10(14-2-1-5-22-14)6-12-11(13)8-17-16(18-12)19-15(21)9-3-4-9/h1-2,5,8-10H,3-4,6-7H2,(H,17,18,19,21)
InChIKeyGZRGILKEJUZJBJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.80
Rot. Bonds3

About N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide

N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide (PubChem CID 3775639) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide
PubChem CID3775639
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide
SMILESO=C1CC(c2cccs2)Cc2nc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C16H15N3O2S/c20-13-7-10(14-2-1-5-22-14)6-12-11(13)8-17-16(18-12)19-15(21)9-3-4-9/h1-2,5,8-10H,3-4,6-7H2,(H,17,18,19,21)
InChIKeyGZRGILKEJUZJBJ-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide (CID 3775639) is N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide is O=C1CC(c2cccs2)Cc2nc(NC(=O)C3CC3)ncc21.
What is the InChIKey of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide?
The InChIKey is GZRGILKEJUZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-13-7-10(14-2-1-5-22-14)6-12-11(13)8-17-16(18-12)19-15(21)9-3-4-9/h1-2,5,8-10H,3-4,6-7H2,(H,17,18,19,21).
What are the key properties of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide?
N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 3775639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).