7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine

C16H15BrFN5O — CID 69100345

IUPAC7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
SMILESNCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1N
InChIInChI=1S/C16H15BrFN5O/c17-9-1-2-13(11(18)5-9)23-16-10-6-12(20)15(24-4-3-19)7-14(10)21-8-22-16/h1-2,5-8H,3-4,19-20H2,(H,21,22,23)
InChIKeyAGCQBYHPGADZOE-UHFFFAOYSA-N
MW392.23 g/mol
LogP3.19
Rot. Bonds5

About 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine

7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine (PubChem CID 69100345) has the molecular formula C16H15BrFN5O and a molecular weight of 392.23 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
PubChem CID69100345
Molecular FormulaC16H15BrFN5O
Molecular Weight392.23 g/mol
Exact Mass391.04
IUPAC Name7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
SMILESNCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1N
InChIInChI=1S/C16H15BrFN5O/c17-9-1-2-13(11(18)5-9)23-16-10-6-12(20)15(24-4-3-19)7-14(10)21-8-22-16/h1-2,5-8H,3-4,19-20H2,(H,21,22,23)
InChIKeyAGCQBYHPGADZOE-UHFFFAOYSA-N
XLogP3.19
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-bromo-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 90746816
7-(2-aminoethoxy)-N-(4-bromo-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 87694366
N-[2-[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxyethyl]-2-(dimethylamino)acetamide
CID 69100568
4-N-(4-bromo-2-fluorophenyl)-7-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)quinazoline-4,6-diamine
CID 140533249
[2-[2-[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxyethylamino]-2-oxoethyl]-methylcarbamic acid
CID 69100810
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
4-[[6-amino-4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69101080
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
N-[2-[6-amino-4-(4-bromo-2,6-difluoroanilino)quinazolin-7-yl]oxyethyl]acetamide
CID 69100418
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine?
The IUPAC name of 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine (CID 69100345) is 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine is NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1N.
What is the InChIKey of 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine?
The InChIKey is AGCQBYHPGADZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O/c17-9-1-2-13(11(18)5-9)23-16-10-6-12(20)15(24-4-3-19)7-14(10)21-8-22-16/h1-2,5-8H,3-4,19-20H2,(H,21,22,23).
What are the key properties of 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine?
7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine has a molecular weight of 392.23 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 69100345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).