N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide

C25H34N4O2 — CID 110237861

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CC(C)(C)Cc2nc(N3CC(C)OC(C)C3)ncc21
InChIInChI=1S/C25H34N4O2/c1-16-8-6-7-9-19(16)10-23(30)27-21-11-25(4,5)12-22-20(21)13-26-24(28-22)29-14-17(2)31-18(3)15-29/h6-9,13,17-18,21H,10-12,14-15H2,1-5H3,(H,27,30)
InChIKeyGDOKTWMQTNBKHS-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide

N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide (PubChem CID 110237861) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
PubChem CID110237861
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CC(C)(C)Cc2nc(N3CC(C)OC(C)C3)ncc21
InChIInChI=1S/C25H34N4O2/c1-16-8-6-7-9-19(16)10-23(30)27-21-11-25(4,5)12-22-20(21)13-26-24(28-22)29-14-17(2)31-18(3)15-29/h6-9,13,17-18,21H,10-12,14-15H2,1-5H3,(H,27,30)
InChIKeyGDOKTWMQTNBKHS-UHFFFAOYSA-N
XLogP3.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide (CID 110237861) is N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC1CC(C)(C)Cc2nc(N3CC(C)OC(C)C3)ncc21.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is GDOKTWMQTNBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-16-8-6-7-9-19(16)10-23(30)27-21-11-25(4,5)12-22-20(21)13-26-24(28-22)29-14-17(2)31-18(3)15-29/h6-9,13,17-18,21H,10-12,14-15H2,1-5H3,(H,27,30).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 110237861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).