N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C17H19FN4O2 — CID 133475530

IUPACN'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc2c(NCC(c3ccco3)N(C)C)ncnc2cc1F
InChIInChI=1S/C17H19FN4O2/c1-22(2)14(15-5-4-6-24-15)9-19-17-11-7-16(23-3)12(18)8-13(11)20-10-21-17/h4-8,10,14H,9H2,1-3H3,(H,19,20,21)
InChIKeyTZAJTKRPBHZWPS-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.09
Rot. Bonds6

About N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 133475530) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID133475530
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCOc1cc2c(NCC(c3ccco3)N(C)C)ncnc2cc1F
InChIInChI=1S/C17H19FN4O2/c1-22(2)14(15-5-4-6-24-15)9-19-17-11-7-16(23-3)12(18)8-13(11)20-10-21-17/h4-8,10,14H,9H2,1-3H3,(H,19,20,21)
InChIKeyTZAJTKRPBHZWPS-UHFFFAOYSA-N
XLogP3.09
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 133475530) is N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is COc1cc2c(NCC(c3ccco3)N(C)C)ncnc2cc1F.
What is the InChIKey of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is TZAJTKRPBHZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-22(2)14(15-5-4-6-24-15)9-19-17-11-7-16(23-3)12(18)8-13(11)20-10-21-17/h4-8,10,14H,9H2,1-3H3,(H,19,20,21).
What are the key properties of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 330.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 133475530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).