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

C24H21N5O3 — CID 164578005

IUPACN-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C24H21N5O3/c1-15-2-8-18(9-3-15)28-23-20-13-19(10-11-21(20)25-14-26-23)27-22(30)12-16-4-6-17(7-5-16)24(31)29-32/h2-11,13-14,32H,12H2,1H3,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyDNTIGNBKEHVVEJ-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.98
Rot. Bonds6

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

N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide (PubChem CID 164578005) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
PubChem CID164578005
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C24H21N5O3/c1-15-2-8-18(9-3-15)28-23-20-13-19(10-11-21(20)25-14-26-23)27-22(30)12-16-4-6-17(7-5-16)24(31)29-32/h2-11,13-14,32H,12H2,1H3,(H,27,30)(H,29,31)(H,25,26,28)
InChIKeyDNTIGNBKEHVVEJ-UHFFFAOYSA-N
XLogP3.98
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.98
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
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
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
N-[4-(3,4-difluoroanilino)quinazolin-6-yl]-2-(methylamino)acetamide
CID 19365861
(4-ethoxyphenyl)-[4-[(6-methylquinazolin-4-yl)amino]phenyl]methanone
CID 142858154
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
1-[4-(4-methylanilino)quinazolin-6-yl]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 164628628
N-[6-[[2-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]acetyl]amino]hexyl]propanamide
CID 59770632

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide (CID 164578005) is N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide is Cc1ccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(C(=O)NO)cc4)cc23)cc1.
What is the InChIKey of N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is DNTIGNBKEHVVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-15-2-8-18(9-3-15)28-23-20-13-19(10-11-21(20)25-14-26-23)27-22(30)12-16-4-6-17(7-5-16)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-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide?
N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 427.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[[4-(4-methylanilino)quinazolin-6-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 164578005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).