(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone

C24H28N4O3 — CID 71910048

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone
SMILESCOc1ccc2nc(C)nc(NCc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)c2c1
InChIInChI=1S/C24H28N4O3/c1-15-13-28(14-16(2)31-15)24(29)19-7-5-18(6-8-19)12-25-23-21-11-20(30-4)9-10-22(21)26-17(3)27-23/h5-11,15-16H,12-14H2,1-4H3,(H,25,26,27)
InChIKeyUEUNAHRUMUEVCA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.81
Rot. Bonds5

About (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone (PubChem CID 71910048) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone
PubChem CID71910048
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone
SMILESCOc1ccc2nc(C)nc(NCc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)c2c1
InChIInChI=1S/C24H28N4O3/c1-15-13-28(14-16(2)31-15)24(29)19-7-5-18(6-8-19)12-25-23-21-11-20(30-4)9-10-22(21)26-17(3)27-23/h5-11,15-16H,12-14H2,1-4H3,(H,25,26,27)
InChIKeyUEUNAHRUMUEVCA-UHFFFAOYSA-N
XLogP3.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone (CID 71910048) is (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone is COc1ccc2nc(C)nc(NCc3ccc(C(=O)N4CC(C)OC(C)C4)cc3)c2c1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone?
The InChIKey is UEUNAHRUMUEVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-13-28(14-16(2)31-15)24(29)19-7-5-18(6-8-19)12-25-23-21-11-20(30-4)9-10-22(21)26-17(3)27-23/h5-11,15-16H,12-14H2,1-4H3,(H,25,26,27).
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[[(6-methoxy-2-methylquinazolin-4-yl)amino]methyl]phenyl]methanone is sourced from PubChem (CID 71910048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).