[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium

C14H10BrF2N4O+ — CID 145347228

IUPAC[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium
SMILESO[NH2+]c1cc2c(Nc3cccc(Br)c3F)ncnc2cc1F
InChIInChI=1S/C14H9BrF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20)/p+1
InChIKeyHMSMDHCYZHEEOB-UHFFFAOYSA-O
MW368.16 g/mol
LogP3.00
Rot. Bonds3

About [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium

[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium (PubChem CID 145347228) has the molecular formula C14H10BrF2N4O+ and a molecular weight of 368.16 g/mol. Its IUPAC name is [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium.

Molecular Properties

Compound Name[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium
PubChem CID145347228
Molecular FormulaC14H10BrF2N4O+
Molecular Weight368.16 g/mol
Exact Mass367.00
IUPAC Name[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium
SMILESO[NH2+]c1cc2c(Nc3cccc(Br)c3F)ncnc2cc1F
InChIInChI=1S/C14H9BrF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20)/p+1
InChIKeyHMSMDHCYZHEEOB-UHFFFAOYSA-O
XLogP3.00
TPSA74.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7S,8R)-N-(3-bromo-2-fluorophenyl)-7,8-dimethyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 138513793
4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-ol
CID 138513881
[4-(3-bromo-2-fluoroanilino)-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate
CID 122485643
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
2-[4-(3-bromo-2-fluoroanilino)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethanol
CID 162532883
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 146246322
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(3-bromo-2-fluorophenyl)-7-[(1-methyl-1,6-diazaspiro[3.3]heptan-6-yl)methyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
CID 174205342
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium?
The IUPAC name of [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium (CID 145347228) is [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium.
What is the SMILES notation for [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium?
The canonical SMILES for [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium is O[NH2+]c1cc2c(Nc3cccc(Br)c3F)ncnc2cc1F.
What is the InChIKey of [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium?
The InChIKey is HMSMDHCYZHEEOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H9BrF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20)/p+1.
What are the key properties of [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium?
[4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium has a molecular weight of 368.16 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-2-fluoroanilino)-7-fluoroquinazolin-6-yl]-hydroxyazanium is sourced from PubChem (CID 145347228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).