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

C18H21N3O2S — CID 3815508

IUPACN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C18H21N3O2S/c1-2-3-4-7-17(23)21-18-19-11-13-14(20-18)9-12(10-15(13)22)16-6-5-8-24-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,19,20,21,23)
InChIKeyJQCBQVQAZRSMJH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.97
Rot. Bonds6

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

N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide (PubChem CID 3815508) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide.

Molecular Properties

Compound NameN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide
PubChem CID3815508
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide
SMILESCCCCCC(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O
InChIInChI=1S/C18H21N3O2S/c1-2-3-4-7-17(23)21-18-19-11-13-14(20-18)9-12(10-15(13)22)16-6-5-8-24-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,19,20,21,23)
InChIKeyJQCBQVQAZRSMJH-UHFFFAOYSA-N
XLogP3.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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)hexanamide?
The IUPAC name of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide (CID 3815508) is N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide.
What is the SMILES notation for N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide?
The canonical SMILES for N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide is CCCCCC(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O.
What is the InChIKey of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide?
The InChIKey is JQCBQVQAZRSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-2-3-4-7-17(23)21-18-19-11-13-14(20-18)9-12(10-15(13)22)16-6-5-8-24-16/h5-6,8,11-12H,2-4,7,9-10H2,1H3,(H,19,20,21,23).
What are the key properties of N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide?
N-(5-oxo-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-2-yl)hexanamide has a molecular weight of 343.45 g/mol, XLogP of 3.97, 6 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)hexanamide is sourced from PubChem (CID 3815508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).