N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide

C18H20N4O3S — CID 3232925

IUPACN-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
SMILESCOCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12
InChIInChI=1S/C18H20N4O3S/c1-25-11-10-19-18-15-8-3-4-9-16(15)20-17(21-18)13-6-5-7-14(12-13)22-26(2,23)24/h3-9,12,22H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyVLEKMSCBJBQXIB-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.73
Rot. Bonds7

About N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide

N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide (PubChem CID 3232925) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
PubChem CID3232925
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide
SMILESCOCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12
InChIInChI=1S/C18H20N4O3S/c1-25-11-10-19-18-15-8-3-4-9-16(15)20-17(21-18)13-6-5-7-14(12-13)22-26(2,23)24/h3-9,12,22H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyVLEKMSCBJBQXIB-UHFFFAOYSA-N
XLogP2.73
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide (CID 3232925) is N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide is COCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12.
What is the InChIKey of N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide?
The InChIKey is VLEKMSCBJBQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-25-11-10-19-18-15-8-3-4-9-16(15)20-17(21-18)13-6-5-7-14(12-13)22-26(2,23)24/h3-9,12,22H,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyethylamino)quinazolin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3232925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).