N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride

C19H19Cl2N5O — CID 19392142

IUPACN-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride
SMILESCOc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C19H17N5O.2ClH/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H
InChIKeyLTBKMYIFGJWBPM-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.28
Rot. Bonds5

About N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride

N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride (PubChem CID 19392142) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride
PubChem CID19392142
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC NameN-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride
SMILESCOc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl
InChIInChI=1S/C19H17N5O.2ClH/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H
InChIKeyLTBKMYIFGJWBPM-UHFFFAOYSA-N
XLogP4.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride?
The IUPAC name of N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride (CID 19392142) is N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride?
The canonical SMILES for N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride is COc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.Cl.Cl.
What is the InChIKey of N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride?
The InChIKey is LTBKMYIFGJWBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O.2ClH/c1-25-15-7-8-17-16(11-15)18(21-12-14-5-3-2-4-6-14)23-19(22-17)24-10-9-20-13-24;;/h2-11,13H,12H2,1H3,(H,21,22,23);2*1H.
What are the key properties of N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride?
N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride has a molecular weight of 404.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-imidazol-1-yl-6-methoxyquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 19392142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).