N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride

C16H15Cl2N5O — CID 19392231

IUPACN-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.c1coc(CNc2nc(-n3ccnc3)nc3ccccc23)c1
InChIInChI=1S/C16H13N5O.2ClH/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21;;/h1-9,11H,10H2,(H,18,19,20);2*1H
InChIKeyGWITWKSAZRAPCF-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.86
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride

N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride (PubChem CID 19392231) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
PubChem CID19392231
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC NameN-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
SMILESCl.Cl.c1coc(CNc2nc(-n3ccnc3)nc3ccccc23)c1
InChIInChI=1S/C16H13N5O.2ClH/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21;;/h1-9,11H,10H2,(H,18,19,20);2*1H
InChIKeyGWITWKSAZRAPCF-UHFFFAOYSA-N
XLogP3.86
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride?
The IUPAC name of N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride (CID 19392231) is N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride?
The canonical SMILES for N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride is Cl.Cl.c1coc(CNc2nc(-n3ccnc3)nc3ccccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride?
The InChIKey is GWITWKSAZRAPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.2ClH/c1-2-6-14-13(5-1)15(18-10-12-4-3-9-22-12)20-16(19-14)21-8-7-17-11-21;;/h1-9,11H,10H2,(H,18,19,20);2*1H.
What are the key properties of N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride?
N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride has a molecular weight of 364.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride is sourced from PubChem (CID 19392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).