butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate

C15H20N2O4 — CID 53474523

IUPACbutyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCCCOC(=O)CC1c2ccccc2NC(=O)N1OC
InChIInChI=1S/C15H20N2O4/c1-3-4-9-21-14(18)10-13-11-7-5-6-8-12(11)16-15(19)17(13)20-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyIETHOTZVNKQJNZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds6

About butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate

butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate (PubChem CID 53474523) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
PubChem CID53474523
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namebutyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCCCOC(=O)CC1c2ccccc2NC(=O)N1OC
InChIInChI=1S/C15H20N2O4/c1-3-4-9-21-14(18)10-13-11-7-5-6-8-12(11)16-15(19)17(13)20-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19)
InChIKeyIETHOTZVNKQJNZ-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate
CID 53474524
methyl 2-(2-oxo-3-propyl-1,4-dihydroquinazolin-4-yl)acetate
CID 10989080
butyl 2-(2-sulfanylidene-1,4-dihydro-3,1-benzothiazin-4-yl)acetate
CID 102236474
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
butyl 2-(1-oxo-1,2-diphenyl-3H-2,1λ5-benzazaphosphol-3-yl)acetate
CID 118202170
pentyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3114107
pentadecyl 2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 40735384
octyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3119407
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
ethyl 2-(2-oxo-3,4-dihydro-1H-quinazolin-4-yl)acetate
CID 53474520
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The IUPAC name of butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate (CID 53474523) is butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate.
What is the SMILES notation for butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The canonical SMILES for butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate is CCCCOC(=O)CC1c2ccccc2NC(=O)N1OC.
What is the InChIKey of butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
The InChIKey is IETHOTZVNKQJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-4-9-21-14(18)10-13-11-7-5-6-8-12(11)16-15(19)17(13)20-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,16,19).
What are the key properties of butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate?
butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate has a molecular weight of 292.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-methoxy-2-oxo-1,4-dihydroquinazolin-4-yl)acetate is sourced from PubChem (CID 53474523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).