6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride

C14H9BrCl2FN3 — CID 142637448

IUPAC6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1Cl
InChIInChI=1S/C14H8BrClFN3.ClH/c15-9-1-4-13-8(5-9)7-18-14(20-13)19-10-2-3-12(17)11(16)6-10;/h1-7H,(H,18,19,20);1H
InChIKeyKLWZKOMGACXMKU-UHFFFAOYSA-N
MW389.06 g/mol
LogP5.35
Rot. Bonds2

About 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride

6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride (PubChem CID 142637448) has the molecular formula C14H9BrCl2FN3 and a molecular weight of 389.06 g/mol. Its IUPAC name is 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
PubChem CID142637448
Molecular FormulaC14H9BrCl2FN3
Molecular Weight389.06 g/mol
Exact Mass386.93
IUPAC Name6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1Cl
InChIInChI=1S/C14H8BrClFN3.ClH/c15-9-1-4-13-8(5-9)7-18-14(20-13)19-10-2-3-12(17)11(16)6-10;/h1-7H,(H,18,19,20);1H
InChIKeyKLWZKOMGACXMKU-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.06
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
CID 63208281
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
CID 142782521
6-bromo-N-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]quinazolin-2-amine;hydrochloride
CID 141258624
N-[2-[[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 59354098
N-(3-chloro-4-fluorophenyl)-7-methylpurin-2-amine
CID 167986934
6-[1-(3-chloro-4-fluoroanilino)-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine
CID 146622558
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 150116370
4-[(6-bromoquinazolin-2-yl)amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 24986332
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride?
The IUPAC name of 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride (CID 142637448) is 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride is Cl.Fc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1Cl.
What is the InChIKey of 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride?
The InChIKey is KLWZKOMGACXMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClFN3.ClH/c15-9-1-4-13-8(5-9)7-18-14(20-13)19-10-2-3-12(17)11(16)6-10;/h1-7H,(H,18,19,20);1H.
What are the key properties of 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride?
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride has a molecular weight of 389.06 g/mol, XLogP of 5.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 142637448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).