N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C20H20N4O4 — CID 43049163

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cccc(OCC(N)=O)c3)cnc12
InChIInChI=1S/C20H20N4O4/c1-13-4-2-7-16-19(13)22-12-24(20(16)27)9-8-18(26)23-14-5-3-6-15(10-14)28-11-17(21)25/h2-7,10,12H,8-9,11H2,1H3,(H2,21,25)(H,23,26)
InChIKeyZNYIRETVWQWCGE-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.60
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 43049163) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID43049163
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3cccc(OCC(N)=O)c3)cnc12
InChIInChI=1S/C20H20N4O4/c1-13-4-2-7-16-19(13)22-12-24(20(16)27)9-8-18(26)23-14-5-3-6-15(10-14)28-11-17(21)25/h2-7,10,12H,8-9,11H2,1H3,(H2,21,25)(H,23,26)
InChIKeyZNYIRETVWQWCGE-UHFFFAOYSA-N
XLogP1.60
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 32576569
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486051
ethyl 5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]thiadiazole-4-carboxylate
CID 55671104
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 43049163) is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(OCC(N)=O)c3)cnc12.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is ZNYIRETVWQWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13-4-2-7-16-19(13)22-12-24(20(16)27)9-8-18(26)23-14-5-3-6-15(10-14)28-11-17(21)25/h2-7,10,12H,8-9,11H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 380.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 43049163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).