5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide

C28H36N4O6 — CID 162644270

IUPAC5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide
SMILESCOc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1
InChIInChI=1S/C28H36N4O6/c1-17-12-20(13-18(2)26(17)38-10-7-6-8-24(33)31-34)27-29-22-14-21(35-4)15-23(36-5)25(22)28(30-27)32-9-11-37-16-19(32)3/h12-15,19,34H,6-11,16H2,1-5H3,(H,31,33)/t19-/m1/s1
InChIKeyZXEMBIZIHDNZDF-LJQANCHMSA-N
MW524.62 g/mol
LogP4.21
Rot. Bonds10

About 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide

5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide (PubChem CID 162644270) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide
PubChem CID162644270
Molecular FormulaC28H36N4O6
Molecular Weight524.62 g/mol
Exact Mass524.26
IUPAC Name5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide
SMILESCOc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1
InChIInChI=1S/C28H36N4O6/c1-17-12-20(13-18(2)26(17)38-10-7-6-8-24(33)31-34)27-29-22-14-21(35-4)15-23(36-5)25(22)28(30-27)32-9-11-37-16-19(32)3/h12-15,19,34H,6-11,16H2,1-5H3,(H,31,33)/t19-/m1/s1
InChIKeyZXEMBIZIHDNZDF-LJQANCHMSA-N
XLogP4.21
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide?
The IUPAC name of 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide (CID 162644270) is 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide is COc1cc(OC)c2c(N3CCOC[C@H]3C)nc(-c3cc(C)c(OCCCCC(=O)NO)c(C)c3)nc2c1.
What is the InChIKey of 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide?
The InChIKey is ZXEMBIZIHDNZDF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H36N4O6/c1-17-12-20(13-18(2)26(17)38-10-7-6-8-24(33)31-34)27-29-22-14-21(35-4)15-23(36-5)25(22)28(30-27)32-9-11-37-16-19(32)3/h12-15,19,34H,6-11,16H2,1-5H3,(H,31,33)/t19-/m1/s1.
What are the key properties of 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide?
5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide has a molecular weight of 524.62 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5,7-dimethoxy-4-[(3R)-3-methylmorpholin-4-yl]quinazolin-2-yl]-2,6-dimethylphenoxy]-N-hydroxypentanamide is sourced from PubChem (CID 162644270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).