N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide

C23H19N3O4 — CID 118901622

IUPACN-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1
InChIInChI=1S/C23H19N3O4/c27-22(25-29)18-9-10-21-20(12-18)23(28)26(15-24-21)13-17-7-4-8-19(11-17)30-14-16-5-2-1-3-6-16/h1-12,15,29H,13-14H2,(H,25,27)
InChIKeyFPHRKHFSAIQRSQ-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.14
Rot. Bonds6

About N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide

N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide (PubChem CID 118901622) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
PubChem CID118901622
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1
InChIInChI=1S/C23H19N3O4/c27-22(25-29)18-9-10-21-20(12-18)23(28)26(15-24-21)13-17-7-4-8-19(11-17)30-14-16-5-2-1-3-6-16/h1-12,15,29H,13-14H2,(H,25,27)
InChIKeyFPHRKHFSAIQRSQ-UHFFFAOYSA-N
XLogP3.14
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.14
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

3-[[3-(fluoromethyl)phenyl]methyl]-N-hydroxy-4-oxoquinazoline-6-carboxamide
CID 90260365
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
3-[(4-bromophenyl)methyl]-4-oxo-N-(4-phenylmethoxyphenyl)quinazoline-7-carboxamide
CID 139779531
N-hydroxy-4-oxo-3-[2-(3-pyridin-4-ylphenyl)ethyl]quinazoline-6-carboxamide
CID 87413146
N-hydroxy-3-[2-[3-(2-methylphenyl)phenyl]ethyl]-4-oxoquinazoline-6-carboxamide
CID 87413865
1-methyl-5-[(3-phenylmethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 47085998
4-oxo-N-(4-phenylmethoxyphenyl)-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 139779480
6-bromo-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-one
CID 55923744
3-[(3-fluorophenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87524252
N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide
CID 87413205
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide?
The IUPAC name of N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide (CID 118901622) is N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide?
The canonical SMILES for N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide is O=C(NO)c1ccc2ncn(Cc3cccc(OCc4ccccc4)c3)c(=O)c2c1.
What is the InChIKey of N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide?
The InChIKey is FPHRKHFSAIQRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(25-29)18-9-10-21-20(12-18)23(28)26(15-24-21)13-17-7-4-8-19(11-17)30-14-16-5-2-1-3-6-16/h1-12,15,29H,13-14H2,(H,25,27).
What are the key properties of N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide?
N-hydroxy-4-oxo-3-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.14, 6 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-[(3-phenylmethoxyphenyl)methyl]quinazoline-6-carboxamide is sourced from PubChem (CID 118901622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).