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

C23H18BrN5O3 — CID 175738584

IUPAC2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESO=C(Cc1ccccc1C(=O)NO)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C23H18BrN5O3/c24-15-5-7-16(8-6-15)28-22-19-12-17(9-10-20(19)25-13-26-22)27-21(30)11-14-3-1-2-4-18(14)23(31)29-32/h1-10,12-13,32H,11H2,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyBKCKRGXHBWAMKI-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.44
Rot. Bonds6

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

2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (PubChem CID 175738584) has the molecular formula C23H18BrN5O3 and a molecular weight of 492.33 g/mol. Its IUPAC name is 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
PubChem CID175738584
Molecular FormulaC23H18BrN5O3
Molecular Weight492.33 g/mol
Exact Mass491.06
IUPAC Name2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESO=C(Cc1ccccc1C(=O)NO)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C23H18BrN5O3/c24-15-5-7-16(8-6-15)28-22-19-12-17(9-10-20(19)25-13-26-22)27-21(30)11-14-3-1-2-4-18(14)23(31)29-32/h1-10,12-13,32H,11H2,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyBKCKRGXHBWAMKI-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

4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 164578004
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
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
(2R)-2-amino-3-[3-[(4-anilinoquinazolin-6-yl)amino]-3-oxopropyl]sulfanylpropanoic acid
CID 46937083
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
N-[4-(4-fluoroanilino)quinazolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 72737073
1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569335
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The IUPAC name of 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (CID 175738584) is 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.
What is the SMILES notation for 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The canonical SMILES for 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is O=C(Cc1ccccc1C(=O)NO)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The InChIKey is BKCKRGXHBWAMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O3/c24-15-5-7-16(8-6-15)28-22-19-12-17(9-10-20(19)25-13-26-22)27-21(30)11-14-3-1-2-4-18(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 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
2-[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 2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is sourced from PubChem (CID 175738584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).