2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine

C15H17N5O3S — CID 19392342

IUPAC2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine
SMILESCOCCNc1nc(-n2ccnc2)nc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H17N5O3S/c1-23-8-6-17-14-12-9-11(24(2,21)22)3-4-13(12)18-15(19-14)20-7-5-16-10-20/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,18,19)
InChIKeyNNMZTEVBRWBTGN-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.28
Rot. Bonds6

About 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine

2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine (PubChem CID 19392342) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine
PubChem CID19392342
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine
SMILESCOCCNc1nc(-n2ccnc2)nc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C15H17N5O3S/c1-23-8-6-17-14-12-9-11(24(2,21)22)3-4-13(12)18-15(19-14)20-7-5-16-10-20/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,18,19)
InChIKeyNNMZTEVBRWBTGN-UHFFFAOYSA-N
XLogP1.28
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
CID 19392203
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
2-imidazol-1-yl-6,8-diiodo-N-(2-methoxyethyl)quinazolin-4-amine;dihydrochloride
CID 19392217
N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
CID 19392238
N-benzyl-2-imidazol-1-yl-6-nitroquinazolin-4-amine;hydrochloride
CID 19392308
sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
CID 19392337
2-imidazol-1-yl-4-(2-methoxyethyl)-6-methylquinazolin-5-amine
CID 150680075
6-imidazol-1-yl-N-(2-methoxyethyl)-5-nitropyrimidin-4-amine
CID 22534884
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
N-(3-imidazol-1-ylpropyl)-7-methylsulfonylimidazo[1,2-a]quinoxalin-4-amine
CID 5107541
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 70081663

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine?
The IUPAC name of 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine (CID 19392342) is 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine is COCCNc1nc(-n2ccnc2)nc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine?
The InChIKey is NNMZTEVBRWBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-23-8-6-17-14-12-9-11(24(2,21)22)3-4-13(12)18-15(19-14)20-7-5-16-10-20/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine?
2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine has a molecular weight of 347.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine is sourced from PubChem (CID 19392342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).