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

C14H19FN4O — CID 133492287

IUPACN'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc2c(N(C)CCN(C)C)ncnc2cc1F
InChIInChI=1S/C14H19FN4O/c1-18(2)5-6-19(3)14-10-7-13(20-4)11(15)8-12(10)16-9-17-14/h7-9H,5-6H2,1-4H3
InChIKeyFUKOPYQTOREYCB-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.78
Rot. Bonds5

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

N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 133492287) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID133492287
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1cc2c(N(C)CCN(C)C)ncnc2cc1F
InChIInChI=1S/C14H19FN4O/c1-18(2)5-6-19(3)14-10-7-13(20-4)11(15)8-12(10)16-9-17-14/h7-9H,5-6H2,1-4H3
InChIKeyFUKOPYQTOREYCB-UHFFFAOYSA-N
XLogP1.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 133492287) is N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is COc1cc2c(N(C)CCN(C)C)ncnc2cc1F.
What is the InChIKey of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is FUKOPYQTOREYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-18(2)5-6-19(3)14-10-7-13(20-4)11(15)8-12(10)16-9-17-14/h7-9H,5-6H2,1-4H3.
What are the key properties of N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 278.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-fluoro-6-methoxyquinazolin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 133492287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).