N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide

C16H14N4O2 — CID 142755257

IUPACN-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
SMILESO=C(NO)c1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c21-16(20-22)12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10,22H,9H2,(H,20,21)(H,17,18,19)
InChIKeyVFHDDJRVEHHIML-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.36
Rot. Bonds4

About N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide

N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide (PubChem CID 142755257) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
PubChem CID142755257
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide
SMILESO=C(NO)c1ccc(CNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c21-16(20-22)12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10,22H,9H2,(H,20,21)(H,17,18,19)
InChIKeyVFHDDJRVEHHIML-UHFFFAOYSA-N
XLogP2.36
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.36
H-Bond Donors ≤ 53
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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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
2-[(quinazolin-4-ylamino)methyl]benzoic acid
CID 66776604
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
CID 91641402
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-[(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethyl]benzamide
CID 121377408
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
3-[(quinazolin-4-ylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167977348
N-(pyridin-4-ylmethyl)quinazoline-4-carboxamide
CID 110702680
[4-(hydroxycarbamoyl)phenyl]methyl-(quinolin-4-ylmethyl)carbamic acid
CID 87545330
4-[(2-fluoroanilino)methyl]-N-hydroxybenzamide
CID 170564867
2-[[2-(quinazolin-4-ylamino)acetyl]amino]acetic acid
CID 21002376
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
CID 110436040

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide (CID 142755257) is N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide is O=C(NO)c1ccc(CNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide?
The InChIKey is VFHDDJRVEHHIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(20-22)12-7-5-11(6-8-12)9-17-15-13-3-1-2-4-14(13)18-10-19-15/h1-8,10,22H,9H2,(H,20,21)(H,17,18,19).
What are the key properties of N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide?
N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(quinazolin-4-ylamino)methyl]benzamide is sourced from PubChem (CID 142755257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).