6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine

C20H22BrN3 — CID 23934897

IUPAC6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine
SMILESCCCCN(CC)c1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H22BrN3/c1-3-5-13-24(4-2)20-17-14-16(21)11-12-18(17)22-19(23-20)15-9-7-6-8-10-15/h6-12,14H,3-5,13H2,1-2H3
InChIKeyAKASGJNZACDACB-UHFFFAOYSA-N
MW384.32 g/mol
LogP5.69
Rot. Bonds6

About 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine

6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine (PubChem CID 23934897) has the molecular formula C20H22BrN3 and a molecular weight of 384.32 g/mol. Its IUPAC name is 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine
PubChem CID23934897
Molecular FormulaC20H22BrN3
Molecular Weight384.32 g/mol
Exact Mass383.10
IUPAC Name6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine
SMILESCCCCN(CC)c1nc(-c2ccccc2)nc2ccc(Br)cc12
InChIInChI=1S/C20H22BrN3/c1-3-5-13-24(4-2)20-17-14-16(21)11-12-18(17)22-19(23-20)15-9-7-6-8-10-15/h6-12,14H,3-5,13H2,1-2H3
InChIKeyAKASGJNZACDACB-UHFFFAOYSA-N
XLogP5.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine
CID 23994050
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
CID 899344
4-N-butyl-2-N,4-N-diethylquinazoline-2,4-diamine
CID 80754270
N-butyl-N-methyl-2-(4-methylphenyl)quinazolin-4-amine
CID 15992174
2-[[2-(4-chlorophenyl)quinazolin-4-yl]-ethylamino]ethanol
CID 23988114
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
N,N-diethyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963147
6-bromo-N,N-diethyl-2-methylquinolin-4-amine
CID 110434316
1-[(6-bromo-2-phenylquinazolin-4-yl)amino]propan-2-ol
CID 23906351
N-benzyl-2-(4-bromophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 68860862
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine (CID 23934897) is 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine is CCCCN(CC)c1nc(-c2ccccc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine?
The InChIKey is AKASGJNZACDACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3/c1-3-5-13-24(4-2)20-17-14-16(21)11-12-18(17)22-19(23-20)15-9-7-6-8-10-15/h6-12,14H,3-5,13H2,1-2H3.
What are the key properties of 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine?
6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine has a molecular weight of 384.32 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-butyl-N-ethyl-2-phenylquinazolin-4-amine is sourced from PubChem (CID 23934897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).