N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide

C22H26N6O4 — CID 90491826

IUPACN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(OCCNC(=O)CCn2cnc3ccccc3c2=O)cc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O4/c1-16-25-19(27-9-12-31-13-10-27)14-21(26-16)32-11-7-23-20(29)6-8-28-15-24-18-5-3-2-4-17(18)22(28)30/h2-5,14-15H,6-13H2,1H3,(H,23,29)
InChIKeyQKPXFIOWUUHKTC-UHFFFAOYSA-N
MW438.49 g/mol
LogP0.92
Rot. Bonds8

About N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 90491826) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID90491826
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1nc(OCCNC(=O)CCn2cnc3ccccc3c2=O)cc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O4/c1-16-25-19(27-9-12-31-13-10-27)14-21(26-16)32-11-7-23-20(29)6-8-28-15-24-18-5-3-2-4-17(18)22(28)30/h2-5,14-15H,6-13H2,1H3,(H,23,29)
InChIKeyQKPXFIOWUUHKTC-UHFFFAOYSA-N
XLogP0.92
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491668
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122294971
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
CID 90491761
2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491617
2-(2-fluorophenoxy)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491762
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-[3-(2-methoxyethoxy)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 134041947
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
CID 90491744
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
CID 90491812
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122290203
N-[4-(4-methylpiperazin-1-yl)butyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55656687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 90491826) is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cc1nc(OCCNC(=O)CCn2cnc3ccccc3c2=O)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QKPXFIOWUUHKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-16-25-19(27-9-12-31-13-10-27)14-21(26-16)32-11-7-23-20(29)6-8-28-15-24-18-5-3-2-4-17(18)22(28)30/h2-5,14-15H,6-13H2,1H3,(H,23,29).
What are the key properties of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 438.49 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 90491826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).