ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate

C19H25N3O4 — CID 42711700

IUPACethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C19H25N3O4/c1-5-22-18(20-15-10-8-7-9-14(15)19(22)25)13(3)21(4)16(23)11-12-17(24)26-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyOVSOQCIDRKZKFX-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.28
Rot. Bonds7

About ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate

ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate (PubChem CID 42711700) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
PubChem CID42711700
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C19H25N3O4/c1-5-22-18(20-15-10-8-7-9-14(15)19(22)25)13(3)21(4)16(23)11-12-17(24)26-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyOVSOQCIDRKZKFX-UHFFFAOYSA-N
XLogP2.28
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-hexylamino]-4-oxobutanoate
CID 42711715
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
ethyl 4-[2-(dimethylamino)ethyl-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42715489
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-3-phenylpropanamide
CID 42713785
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
ethyl 2-[[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl-propan-2-ylcarbamoyl]amino]acetate
CID 42712651
ethyl 4-[3-methylbutyl-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]amino]-4-oxobutanoate
CID 42721094
ethyl 4-[butyl-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]amino]-4-oxobutanoate
CID 4316094
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl-propylamino]-4-oxobutanoate
CID 42721828
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-4-methyl-N-propylbenzamide
CID 42711673

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate (CID 42711700) is ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)C(C)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The InChIKey is OVSOQCIDRKZKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-22-18(20-15-10-8-7-9-14(15)19(22)25)13(3)21(4)16(23)11-12-17(24)26-6-2/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate has a molecular weight of 359.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate is sourced from PubChem (CID 42711700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).