N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide

C24H21N5O4 — CID 164577998

IUPACN-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C24H21N5O4/c1-33-19-9-6-17(7-10-19)28-23-20-13-18(8-11-21(20)25-14-26-23)27-22(30)12-15-2-4-16(5-3-15)24(31)29-32/h2-11,13-14,32H,12H2,1H3,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyJIOSORYTKHKYMD-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.68
Rot. Bonds7

About N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide

N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide (PubChem CID 164577998) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
PubChem CID164577998
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC NameN-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C24H21N5O4/c1-33-19-9-6-17(7-10-19)28-23-20-13-18(8-11-21(20)25-14-26-23)27-22(30)12-15-2-4-16(5-3-15)24(31)29-32/h2-11,13-14,32H,12H2,1H3,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyJIOSORYTKHKYMD-UHFFFAOYSA-N
XLogP3.68
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 164578004
4-[2-[[4-(4-fluoroanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175520373
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
1-(3,4-dichlorophenyl)-3-[4-(4-methoxyanilino)quinazolin-6-yl]urea
CID 44569611
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-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
CID 59770632
N-[(4-methoxyphenyl)methyl]-4-(4-morpholin-4-ylanilino)quinazoline-6-carboxamide
CID 15956177
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide (CID 164577998) is N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide is COc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1.
What is the InChIKey of N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is JIOSORYTKHKYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-33-19-9-6-17(7-10-19)28-23-20-13-18(8-11-21(20)25-14-26-23)27-22(30)12-15-2-4-16(5-3-15)24(31)29-32/h2-11,13-14,32H,12H2,1H3,(H,27,30)(H,29,31)(H,25,26,28).
What are the key properties of N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 443.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[[4-(4-methoxyanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 164577998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).