ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate

C18H23N3O5 — CID 55726466

IUPACethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C18H23N3O5/c1-4-26-16(23)11-20(8-9-25-3)15(22)10-21-12-19-17-13(2)6-5-7-14(17)18(21)24/h5-7,12H,4,8-11H2,1-3H3
InChIKeyHJOBTVQKZNPSFL-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.74
Rot. Bonds8

About ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate

ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate (PubChem CID 55726466) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
PubChem CID55726466
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nameethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C18H23N3O5/c1-4-26-16(23)11-20(8-9-25-3)15(22)10-21-12-19-17-13(2)6-5-7-14(17)18(21)24/h5-7,12H,4,8-11H2,1-3H3
InChIKeyHJOBTVQKZNPSFL-UHFFFAOYSA-N
XLogP0.74
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 134032469
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 31213209
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-ethyl-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)acetamide
CID 46550497
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
ethyl 2-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenoxy]acetate
CID 39268281
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate (CID 55726466) is ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate is CCOC(=O)CN(CCOC)C(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate?
The InChIKey is HJOBTVQKZNPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-4-26-16(23)11-20(8-9-25-3)15(22)10-21-12-19-17-13(2)6-5-7-14(17)18(21)24/h5-7,12H,4,8-11H2,1-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate?
ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate has a molecular weight of 361.40 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 55726466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).