2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine

C21H19BrN4 — CID 163767596

IUPAC2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
SMILESCCc1[nH]c(Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1C
InChIInChI=1S/C21H19BrN4/c1-3-17-13(2)12-19(23-17)25-21-16-6-4-5-7-18(16)24-20(26-21)14-8-10-15(22)11-9-14/h4-12,23H,3H2,1-2H3,(H,24,25,26)
InChIKeyMDRSYUXVHZSJEG-UHFFFAOYSA-N
MW407.32 g/mol
LogP6.00
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine

2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine (PubChem CID 163767596) has the molecular formula C21H19BrN4 and a molecular weight of 407.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
PubChem CID163767596
Molecular FormulaC21H19BrN4
Molecular Weight407.32 g/mol
Exact Mass406.08
IUPAC Name2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
SMILESCCc1[nH]c(Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1C
InChIInChI=1S/C21H19BrN4/c1-3-17-13(2)12-19(23-17)25-21-16-6-4-5-7-18(16)24-20(26-21)14-8-10-15(22)11-9-14/h4-12,23H,3H2,1-2H3,(H,24,25,26)
InChIKeyMDRSYUXVHZSJEG-UHFFFAOYSA-N
XLogP6.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-propan-2-ylquinazolin-4-amine
CID 869819
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
CID 23909624
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
2-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)quinazolin-4-amine
CID 22330512
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide
CID 142126077
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 7728865

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine (CID 163767596) is 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine is CCc1[nH]c(Nc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1C.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine?
The InChIKey is MDRSYUXVHZSJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4/c1-3-17-13(2)12-19(23-17)25-21-16-6-4-5-7-18(16)24-20(26-21)14-8-10-15(22)11-9-14/h4-12,23H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine?
2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine has a molecular weight of 407.32 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 163767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).