N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide

C20H20N4O3 — CID 164610201

IUPACN-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-13-12-27-11-10-24(13)19-16-4-2-3-5-17(16)21-18(22-19)14-6-8-15(9-7-14)20(25)23-26/h2-9,13,26H,10-12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyRWAUECQWMASKTP-ZDUSSCGKSA-N
MW364.41 g/mol
LogP2.64
Rot. Bonds3

About N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide

N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide (PubChem CID 164610201) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide
PubChem CID164610201
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide
SMILESC[C@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2ccccc12
InChIInChI=1S/C20H20N4O3/c1-13-12-27-11-10-24(13)19-16-4-2-3-5-17(16)21-18(22-19)14-6-8-15(9-7-14)20(25)23-26/h2-9,13,26H,10-12H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyRWAUECQWMASKTP-ZDUSSCGKSA-N
XLogP2.64
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide?
The IUPAC name of N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide (CID 164610201) is N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide?
The canonical SMILES for N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide is C[C@H]1COCCN1c1nc(-c2ccc(C(=O)NO)cc2)nc2ccccc12.
What is the InChIKey of N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide?
The InChIKey is RWAUECQWMASKTP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-12-27-11-10-24(13)19-16-4-2-3-5-17(16)21-18(22-19)14-6-8-15(9-7-14)20(25)23-26/h2-9,13,26H,10-12H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide?
N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[(3S)-3-methylmorpholin-4-yl]quinazolin-2-yl]benzamide is sourced from PubChem (CID 164610201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).