ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane

C28H39N5O5 — CID 153352677

IUPACethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane
SMILESCC.CCC.COC(=O)CC(NC(=O)Cn1cnc2ccccc2c1=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C23H25N5O5.C3H8.C2H6/c1-32-22(30)11-20(16-10-17(13-24-12-16)27-6-8-33-9-7-27)26-21(29)14-28-15-25-19-5-3-2-4-18(19)23(28)31;1-3-2;1-2/h2-5,10,12-13,15,20H,6-9,11,14H2,1H3,(H,26,29);3H2,1-2H3;1-2H3
InChIKeyCBDAAKMFWVFKCG-UHFFFAOYSA-N
MW525.65 g/mol
LogP3.49
Rot. Bonds7

About ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane

ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane (PubChem CID 153352677) has the molecular formula C28H39N5O5 and a molecular weight of 525.65 g/mol. Its IUPAC name is ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane.

Molecular Properties

Compound Nameethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane
PubChem CID153352677
Molecular FormulaC28H39N5O5
Molecular Weight525.65 g/mol
Exact Mass525.30
IUPAC Nameethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane
SMILESCC.CCC.COC(=O)CC(NC(=O)Cn1cnc2ccccc2c1=O)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C23H25N5O5.C3H8.C2H6/c1-32-22(30)11-20(16-10-17(13-24-12-16)27-6-8-33-9-7-27)26-21(29)14-28-15-25-19-5-3-2-4-18(19)23(28)31;1-3-2;1-2/h2-5,10,12-13,15,20H,6-9,11,14H2,1H3,(H,26,29);3H2,1-2H3;1-2H3
InChIKeyCBDAAKMFWVFKCG-UHFFFAOYSA-N
XLogP3.49
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane with MolForge

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Related Compounds

N-(3-morpholin-4-ylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 87042396
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 71794855
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356923
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[(1S)-1-(4-methylphenyl)propyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9297441
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 24532776
methyl 3-(4-chlorophenyl)-3-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]propanoate
CID 55436063
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane?
The IUPAC name of ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane (CID 153352677) is ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane.
What is the SMILES notation for ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane?
The canonical SMILES for ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane is CC.CCC.COC(=O)CC(NC(=O)Cn1cnc2ccccc2c1=O)c1cncc(N2CCOCC2)c1.
What is the InChIKey of ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane?
The InChIKey is CBDAAKMFWVFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5.C3H8.C2H6/c1-32-22(30)11-20(16-10-17(13-24-12-16)27-6-8-33-9-7-27)26-21(29)14-28-15-25-19-5-3-2-4-18(19)23(28)31;1-3-2;1-2/h2-5,10,12-13,15,20H,6-9,11,14H2,1H3,(H,26,29);3H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane?
ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane has a molecular weight of 525.65 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-(5-morpholin-4-yl-3-pyridinyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanoate;propane is sourced from PubChem (CID 153352677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).