N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine

C16H13BrClN3 — CID 81289133

IUPACN-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
SMILESCCc1cc(Br)ccc1Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H13BrClN3/c1-2-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18)21-15/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyBMBYLOWGTDXBBB-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.35
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine

N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine (PubChem CID 81289133) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
PubChem CID81289133
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
SMILESCCc1cc(Br)ccc1Nc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H13BrClN3/c1-2-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18)21-15/h3-9H,2H2,1H3,(H,19,20,21)
InChIKeyBMBYLOWGTDXBBB-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloroquinazolin-4-amine
CID 107593343
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81286955
N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
CID 22693180
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
methyl 2-[(2-chloroquinazolin-4-yl)amino]-4,5-dimethoxybenzoate
CID 134098397
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
CID 114407262
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine (CID 81289133) is N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine is CCc1cc(Br)ccc1Nc1nc(Cl)nc2ccccc12.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine?
The InChIKey is BMBYLOWGTDXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-2-10-9-11(17)7-8-13(10)19-15-12-5-3-4-6-14(12)20-16(18)21-15/h3-9H,2H2,1H3,(H,19,20,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine?
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine has a molecular weight of 362.66 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 81289133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).