N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

C18H22N4O4 — CID 52521199

IUPACN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-13(17(24)21-8-10-26-11-9-21)20-16(23)6-7-22-12-19-15-5-3-2-4-14(15)18(22)25/h2-5,12-13H,6-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyUEARWSLISBFBFX-CYBMUJFWSA-N
MW358.40 g/mol
LogP0.15
Rot. Bonds5

About N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 52521199) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID52521199
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCOCC1
InChIInChI=1S/C18H22N4O4/c1-13(17(24)21-8-10-26-11-9-21)20-16(23)6-7-22-12-19-15-5-3-2-4-14(15)18(22)25/h2-5,12-13H,6-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyUEARWSLISBFBFX-CYBMUJFWSA-N
XLogP0.15
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 35246626
N-(1-hydroxy-3-methylpentan-2-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 91636761
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
N-[1-(2-fluorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 46662190
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27146493
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 17464931
N-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 2971653
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33359762
4-(1,3-dioxoisoindol-2-yl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347790
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 110347736
methyl (2S)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate
CID 39723313
N-[(2R)-2-(4-methylpiperidin-1-yl)propyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 52516514

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 52521199) is N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is C[C@@H](NC(=O)CCn1cnc2ccccc2c1=O)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is UEARWSLISBFBFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(17(24)21-8-10-26-11-9-21)20-16(23)6-7-22-12-19-15-5-3-2-4-14(15)18(22)25/h2-5,12-13H,6-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 52521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).