4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide

C23H18BrN5O3 — CID 164578004

IUPAC4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESO=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C23H18BrN5O3/c24-16-5-7-17(8-6-16)28-22-19-12-18(9-10-20(19)25-13-26-22)27-21(30)11-14-1-3-15(4-2-14)23(31)29-32/h1-10,12-13,32H,11H2,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyOVXCGDUOAFZREK-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.44
Rot. Bonds6

About 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide

4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (PubChem CID 164578004) has the molecular formula C23H18BrN5O3 and a molecular weight of 492.33 g/mol. Its IUPAC name is 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
PubChem CID164578004
Molecular FormulaC23H18BrN5O3
Molecular Weight492.33 g/mol
Exact Mass491.06
IUPAC Name4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESO=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C23H18BrN5O3/c24-16-5-7-17(8-6-16)28-22-19-12-18(9-10-20(19)25-13-26-22)27-21(30)11-14-1-3-15(4-2-14)23(31)29-32/h1-10,12-13,32H,11H2,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyOVXCGDUOAFZREK-UHFFFAOYSA-N
XLogP4.44
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164578005
4-[2-[[4-(4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175520373
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
CID 164577998
2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175738584
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
N-[4-(4-bromoanilino)quinazolin-6-yl]prop-2-enamide
CID 15159375
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (CID 164578004) is 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is O=C(Cc1ccc(C(=O)NO)cc1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The InChIKey is OVXCGDUOAFZREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O3/c24-16-5-7-17(8-6-16)28-22-19-12-18(9-10-20(19)25-13-26-22)27-21(30)11-14-1-3-15(4-2-14)23(31)29-32/h1-10,12-13,32H,11H2,(H,27,30)(H,29,31)(H,25,26,28).
What are the key properties of 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide has a molecular weight of 492.33 g/mol, XLogP of 4.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is sourced from PubChem (CID 164578004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).