N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide

C19H20N4O3 — CID 175916850

IUPACN-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
SMILESO=C(CCCCc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1)NO
InChIInChI=1S/C19H20N4O3/c24-17(23-26)11-4-1-6-13-7-5-8-14(12-13)20-19-21-16-10-3-2-9-15(16)18(25)22-19/h2-3,5,7-10,12,26H,1,4,6,11H2,(H,23,24)(H2,20,21,22,25)
InChIKeyYQVVPWMUNDCKMH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds7

About N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide

N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide (PubChem CID 175916850) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
PubChem CID175916850
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide
SMILESO=C(CCCCc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1)NO
InChIInChI=1S/C19H20N4O3/c24-17(23-26)11-4-1-6-13-7-5-8-14(12-13)20-19-21-16-10-3-2-9-15(16)18(25)22-19/h2-3,5,7-10,12,26H,1,4,6,11H2,(H,23,24)(H2,20,21,22,25)
InChIKeyYQVVPWMUNDCKMH-UHFFFAOYSA-N
XLogP2.88
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
2-(3-methylsulfanylanilino)-3H-quinazolin-4-one
CID 136779337
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]pentanamide
CID 134186540
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135927606
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide?
The IUPAC name of N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide (CID 175916850) is N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide?
The canonical SMILES for N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide is O=C(CCCCc1cccc(Nc2nc3ccccc3c(=O)[nH]2)c1)NO.
What is the InChIKey of N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide?
The InChIKey is YQVVPWMUNDCKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17(23-26)11-4-1-6-13-7-5-8-14(12-13)20-19-21-16-10-3-2-9-15(16)18(25)22-19/h2-3,5,7-10,12,26H,1,4,6,11H2,(H,23,24)(H2,20,21,22,25).
What are the key properties of N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide?
N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide has a molecular weight of 352.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[3-[(4-oxo-3H-quinazolin-2-yl)amino]phenyl]pentanamide is sourced from PubChem (CID 175916850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).