N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide

C22H18N4O3 — CID 87413146

IUPACN-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C22H18N4O3/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16/h1-7,9-10,12-14,29H,8,11H2,(H,25,27)
InChIKeyUIEHTEVLOQOPAD-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.82
Rot. Bonds5

About N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide

N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide (PubChem CID 87413146) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
PubChem CID87413146
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1
InChIInChI=1S/C22H18N4O3/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16/h1-7,9-10,12-14,29H,8,11H2,(H,25,27)
InChIKeyUIEHTEVLOQOPAD-UHFFFAOYSA-N
XLogP2.82
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
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

N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
CID 118901622
6-bromo-3-(2-pyridin-4-ylethyl)quinazolin-4-one
CID 17409122
3-[2-(3-aminobut-2-enylideneamino)ethyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 173136981
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
6-(2-hydroxyacetyl)-3-[[3-(3-propan-2-ylphenyl)phenyl]methyl]quinazolin-4-one
CID 159750510
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
6-(2-hydroxyacetyl)-3-[[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]methyl]quinazolin-4-one
CID 158378259
3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
6-(2-hydroxyacetyl)-3-[[3-(2-methylphenyl)phenyl]methyl]quinazolin-4-one
CID 158311258
3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 88582092

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The IUPAC name of N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide (CID 87413146) is N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The canonical SMILES for N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide is O=C(NO)c1ccc2ncn(CCc3cccc(-c4ccncc4)c3)c(=O)c2c1.
What is the InChIKey of N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
The InChIKey is UIEHTEVLOQOPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(25-29)18-4-5-20-19(13-18)22(28)26(14-24-20)11-8-15-2-1-3-17(12-15)16-6-9-23-10-7-16/h1-7,9-10,12-14,29H,8,11H2,(H,25,27).
What are the key properties of N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide?
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide is sourced from PubChem (CID 87413146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).