5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide

C20H21ClN4O4 — CID 122195527

IUPAC5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO
InChIInChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyZTLUHMBJQIQLKN-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.09
Rot. Bonds9

About 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide

5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide (PubChem CID 122195527) has the molecular formula C20H21ClN4O4 and a molecular weight of 416.87 g/mol. Its IUPAC name is 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
PubChem CID122195527
Molecular FormulaC20H21ClN4O4
Molecular Weight416.87 g/mol
Exact Mass416.13
IUPAC Name5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO
InChIInChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyZTLUHMBJQIQLKN-UHFFFAOYSA-N
XLogP4.09
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
2,3-dihydroxybutanedioic acid;7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 25225113
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
7-[4-(3-ethynylanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172517
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxysulfanyl-N-hydroxybutanamide
CID 143645931
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
5-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-(4-sulfamoylphenyl)pentanamide
CID 164622206
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
9-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N-hydroxy-8-oxononanamide
CID 58172578
7-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-1-(oxiran-2-yl)heptan-1-one
CID 42597705

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide?
The IUPAC name of 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide (CID 122195527) is 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide?
The canonical SMILES for 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide is COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCCCC(=O)NO.
What is the InChIKey of 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide?
The InChIKey is ZTLUHMBJQIQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4/c1-28-17-11-16-15(10-18(17)29-8-3-2-7-19(26)25-27)20(23-12-22-16)24-14-6-4-5-13(21)9-14/h4-6,9-12,27H,2-3,7-8H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide?
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide has a molecular weight of 416.87 g/mol, XLogP of 4.09, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide is sourced from PubChem (CID 122195527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).