7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine

C16H13BrClFN4O — CID 141171360

IUPAC7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNCCOc1ccc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2c1
InChIInChI=1S/C16H13BrClFN4O/c17-11-6-13(19)15(7-12(11)18)23-16-10-2-1-9(24-4-3-20)5-14(10)21-8-22-16/h1-2,5-8H,3-4,20H2,(H,21,22,23)
InChIKeyURFNHPBZQHHOFQ-UHFFFAOYSA-N
MW411.66 g/mol
LogP4.27
Rot. Bonds5

About 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine

7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine (PubChem CID 141171360) has the molecular formula C16H13BrClFN4O and a molecular weight of 411.66 g/mol. Its IUPAC name is 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine
PubChem CID141171360
Molecular FormulaC16H13BrClFN4O
Molecular Weight411.66 g/mol
Exact Mass409.99
IUPAC Name7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine
SMILESNCCOc1ccc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2c1
InChIInChI=1S/C16H13BrClFN4O/c17-11-6-13(19)15(7-12(11)18)23-16-10-2-1-9(24-4-3-20)5-14(10)21-8-22-16/h1-2,5-8H,3-4,20H2,(H,21,22,23)
InChIKeyURFNHPBZQHHOFQ-UHFFFAOYSA-N
XLogP4.27
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.66
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-7-[2-(3,5-dimethyl-1,2,4-triazol-4-yl)ethoxy]quinazolin-4-amine
CID 150106082
1-[2-[4-(4-bromo-3-chloro-2-fluoroanilino)quinazolin-7-yl]oxyethyl]-3-propylurea
CID 141171359
7-(2-aminoethoxy)-4-N-(4-bromo-2-fluorophenyl)quinazoline-4,6-diamine
CID 69100345
4-(4,5-dichloro-2-fluoroanilino)-7-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]quinazoline-2-carboxamide
CID 173158933
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
7-(2-aminoethoxy)-N-(4-bromo-3-chloro-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 69100203
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-bromo-5-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 10347091
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-bromo-5-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 66838595
7-(2-aminoethoxy)-N-(4-bromo-2-fluorophenyl)-6-nitroquinazolin-4-amine
CID 87694366
[4-(3,4-dichloro-2-fluoroanilino)quinazolin-7-yl] trifluoromethanesulfonate
CID 171852899
4-N-(4,5-dichloro-2-fluorophenyl)-7-(2-ethoxyethoxy)quinazoline-4,6-diamine
CID 69320196
6-bromo-N-(4-chloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine
CID 146246329

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine (CID 141171360) is 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine is NCCOc1ccc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2c1.
What is the InChIKey of 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine?
The InChIKey is URFNHPBZQHHOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFN4O/c17-11-6-13(19)15(7-12(11)18)23-16-10-2-1-9(24-4-3-20)5-14(10)21-8-22-16/h1-2,5-8H,3-4,20H2,(H,21,22,23).
What are the key properties of 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine?
7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine has a molecular weight of 411.66 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxy)-N-(4-bromo-5-chloro-2-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 141171360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).