4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine

C24H23BrN4 — CID 69013542

IUPAC4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine
SMILESCCCCc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cc1
InChIInChI=1S/C24H23BrN4/c1-2-3-5-16-8-10-17(11-9-16)18-12-13-22-21(14-18)23(29-24(26)28-22)27-20-7-4-6-19(25)15-20/h4,6-15H,2-3,5H2,1H3,(H3,26,27,28,29)
InChIKeyHCKWIGZCAZBEDD-UHFFFAOYSA-N
MW447.38 g/mol
LogP6.73
Rot. Bonds6

About 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine

4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine (PubChem CID 69013542) has the molecular formula C24H23BrN4 and a molecular weight of 447.38 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine
PubChem CID69013542
Molecular FormulaC24H23BrN4
Molecular Weight447.38 g/mol
Exact Mass446.11
IUPAC Name4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine
SMILESCCCCc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cc1
InChIInChI=1S/C24H23BrN4/c1-2-3-5-16-8-10-17(11-9-16)18-12-13-22-21(14-18)23(29-24(26)28-22)27-20-7-4-6-19(25)15-20/h4,6-15H,2-3,5H2,1H3,(H3,26,27,28,29)
InChIKeyHCKWIGZCAZBEDD-UHFFFAOYSA-N
XLogP6.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.38
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]-N,N-diethylbenzamide
CID 69017846
6-(2-amino-5-methylphenyl)-4-N-(3-bromophenyl)quinazoline-2,4-diamine
CID 69013442
N-[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-N-methylformamide
CID 87658081
4-N-(3-bromophenyl)-6-(6-fluoro-3-pyridinyl)quinazoline-2,4-diamine
CID 69014089
4-N-(3-bromophenyl)-6-[2-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015346
4-N-(3-bromophenyl)-6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]quinazoline-2,4-diamine
CID 69013791
[4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 69015649
4-N-(3-bromophenyl)-6-[4-(oxan-2-yloxy)phenyl]quinazoline-2,4-diamine
CID 69017284
1-bromo-3-(4-butylphenyl)benzene
CID 83666147
tert-butyl 4-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]pyrazole-1-carboxylate
CID 69014084
tert-butyl 2-[2-amino-4-(3-bromoanilino)quinazolin-6-yl]benzoate
CID 69013932
2-(2-aminoethyl)-4-N-(3-bromophenyl)quinazoline-4,6-diamine;dihydrochloride
CID 118386833

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine (CID 69013542) is 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine is CCCCc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3c2)cc1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine?
The InChIKey is HCKWIGZCAZBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4/c1-2-3-5-16-8-10-17(11-9-16)18-12-13-22-21(14-18)23(29-24(26)28-22)27-20-7-4-6-19(25)15-20/h4,6-15H,2-3,5H2,1H3,(H3,26,27,28,29).
What are the key properties of 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine?
4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine has a molecular weight of 447.38 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-(4-butylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 69013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).