N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide

C24H21N3O3 — CID 87413865

IUPACN-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
SMILESCc1ccccc1-c1cccc(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c1
InChIInChI=1S/C24H21N3O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(13-18)11-12-27-15-25-22-10-9-19(23(28)26-30)14-21(22)24(27)29/h2-10,13-15,30H,11-12H2,1H3,(H,26,28)
InChIKeyBZHXNSTWRYAORM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.73
Rot. Bonds5

About N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide

N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide (PubChem CID 87413865) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
PubChem CID87413865
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
SMILESCc1ccccc1-c1cccc(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c1
InChIInChI=1S/C24H21N3O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(13-18)11-12-27-15-25-22-10-9-19(23(28)26-30)14-21(22)24(27)29/h2-10,13-15,30H,11-12H2,1H3,(H,26,28)
InChIKeyBZHXNSTWRYAORM-UHFFFAOYSA-N
XLogP3.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide?
The IUPAC name of N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide (CID 87413865) is N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide is Cc1ccccc1-c1cccc(CCn2cnc3ccc(C(=O)NO)cc3c2=O)c1.
What is the InChIKey of N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide?
The InChIKey is BZHXNSTWRYAORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-5-2-3-8-20(16)18-7-4-6-17(13-18)11-12-27-15-25-22-10-9-19(23(28)26-30)14-21(22)24(27)29/h2-10,13-15,30H,11-12H2,1H3,(H,26,28).
What are the key properties of N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide?
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 87413865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).