N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide

C15H21N3O3S — CID 136574524

IUPACN-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C15H21N3O3S/c1-2-3-4-5-6-9-22(20,21)18-12-7-8-14-13(10-12)15(19)17-11-16-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,16,17,19)
InChIKeyGGNUPYCAAXWGOV-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.64
Rot. Bonds8

About N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide

N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide (PubChem CID 136574524) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
PubChem CID136574524
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)Nc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C15H21N3O3S/c1-2-3-4-5-6-9-22(20,21)18-12-7-8-14-13(10-12)15(19)17-11-16-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,16,17,19)
InChIKeyGGNUPYCAAXWGOV-UHFFFAOYSA-N
XLogP2.64
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide?
The IUPAC name of N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide (CID 136574524) is N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide.
What is the SMILES notation for N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide?
The canonical SMILES for N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide is CCCCCCCS(=O)(=O)Nc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide?
The InChIKey is GGNUPYCAAXWGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-2-3-4-5-6-9-22(20,21)18-12-7-8-14-13(10-12)15(19)17-11-16-14/h7-8,10-11,18H,2-6,9H2,1H3,(H,16,17,19).
What are the key properties of N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide?
N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide is sourced from PubChem (CID 136574524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).