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

C20H22BrN7O — CID 10276061

IUPAC4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3ccc(N/N=N/CCN4CCOCC4)cc23)c1
InChIInChI=1S/C20H22BrN7O/c21-15-2-1-3-16(12-15)25-20-18-13-17(4-5-19(18)22-14-23-20)26-27-24-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H,24,26)(H,22,23,25)
InChIKeyCGULORJBJPSDAN-UHFFFAOYSA-N
MW456.35 g/mol
LogP4.25
Rot. Bonds7

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

4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine (PubChem CID 10276061) has the molecular formula C20H22BrN7O and a molecular weight of 456.35 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine
PubChem CID10276061
Molecular FormulaC20H22BrN7O
Molecular Weight456.35 g/mol
Exact Mass455.11
IUPAC Name4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3ccc(N/N=N/CCN4CCOCC4)cc23)c1
InChIInChI=1S/C20H22BrN7O/c21-15-2-1-3-16(12-15)25-20-18-13-17(4-5-19(18)22-14-23-20)26-27-24-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H,24,26)(H,22,23,25)
InChIKeyCGULORJBJPSDAN-UHFFFAOYSA-N
XLogP4.25
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
CID 152645355
2-[4-(3-bromoanilino)quinazolin-7-yl]-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 69083266
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholin-4-ylbut-2-ynamide
CID 5328962
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(1-methylpiperidin-4-ylidene)acetamide
CID 59382717
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-bromo-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]quinazolin-4-amine
CID 133446921
4-N-(3-bromophenyl)-6-N-[(2,5-dimethylphenyl)methyl]quinazoline-4,6-diamine
CID 11270441
N-[4-(3-bromoanilino)quinazolin-6-yl]-7-isothiocyanatoheptanamide
CID 127045031

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine (CID 10276061) is 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine is Brc1cccc(Nc2ncnc3ccc(N/N=N/CCN4CCOCC4)cc23)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine?
The InChIKey is CGULORJBJPSDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN7O/c21-15-2-1-3-16(12-15)25-20-18-13-17(4-5-19(18)22-14-23-20)26-27-24-6-7-28-8-10-29-11-9-28/h1-5,12-14H,6-11H2,(H,24,26)(H,22,23,25).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine has a molecular weight of 456.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyldiazenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 10276061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).