4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide

C22H24N4O5 — CID 164627492

IUPAC4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C22H24N4O5/c1-13-12-31-9-8-26(13)21-19-17(10-16(29-2)11-18(19)30-3)23-20(24-21)14-4-6-15(7-5-14)22(27)25-28/h4-7,10-11,13,28H,8-9,12H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyJGXDOAQGYGJXIZ-CYBMUJFWSA-N
MW424.46 g/mol
LogP2.66
Rot. Bonds5

About 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide

4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (PubChem CID 164627492) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
PubChem CID164627492
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide
SMILESCOc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3ccc(C(=O)NO)cc3)nc2c1
InChIInChI=1S/C22H24N4O5/c1-13-12-31-9-8-26(13)21-19-17(10-16(29-2)11-18(19)30-3)23-20(24-21)14-4-6-15(7-5-14)22(27)25-28/h4-7,10-11,13,28H,8-9,12H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyJGXDOAQGYGJXIZ-CYBMUJFWSA-N
XLogP2.66
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide (CID 164627492) is 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide is COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3ccc(C(=O)NO)cc3)nc2c1.
What is the InChIKey of 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
The InChIKey is JGXDOAQGYGJXIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-13-12-31-9-8-26(13)21-19-17(10-16(29-2)11-18(19)30-3)23-20(24-21)14-4-6-15(7-5-14)22(27)25-28/h4-7,10-11,13,28H,8-9,12H2,1-3H3,(H,25,27)/t13-/m1/s1.
What are the key properties of 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide?
4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide has a molecular weight of 424.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 164627492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).