ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate

C20H17Cl2N3O5 — CID 25157287

IUPACethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1
InChIInChI=1S/C20H17Cl2N3O5/c1-2-29-18(26)10-30-20(28)24-13-4-5-14-17(8-13)23-11-25(19(14)27)9-12-3-6-15(21)16(22)7-12/h3-8,11H,2,9-10H2,1H3,(H,24,28)
InChIKeyXQMWKYMNQXMSCM-UHFFFAOYSA-N
MW450.28 g/mol
LogP3.86
Rot. Bonds6

About ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate

ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate (PubChem CID 25157287) has the molecular formula C20H17Cl2N3O5 and a molecular weight of 450.28 g/mol. Its IUPAC name is ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate
PubChem CID25157287
Molecular FormulaC20H17Cl2N3O5
Molecular Weight450.28 g/mol
Exact Mass449.05
IUPAC Nameethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate
SMILESCCOC(=O)COC(=O)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1
InChIInChI=1S/C20H17Cl2N3O5/c1-2-29-18(26)10-30-20(28)24-13-4-5-14-17(8-13)23-11-25(19(14)27)9-12-3-6-15(21)16(22)7-12/h3-8,11H,2,9-10H2,1H3,(H,24,28)
InChIKeyXQMWKYMNQXMSCM-UHFFFAOYSA-N
XLogP3.86
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate with MolForge

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Related Compounds

ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
[2-[[3-[(3-chloro-4-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]amino]-2-oxoethyl] acetate
CID 25158458
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoacetic acid
CID 44574768
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
CID 67360985
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
(E)-3-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]-N-hydroxyprop-2-enamide
CID 177379683
7-bromo-3-[(4-chloro-3-fluorophenyl)methyl]quinazolin-4-one
CID 102794573
[2-oxo-2-[[4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]amino]ethyl] acetate
CID 25158722
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate?
The IUPAC name of ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate (CID 25157287) is ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate.
What is the SMILES notation for ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate?
The canonical SMILES for ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate is CCOC(=O)COC(=O)Nc1ccc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)cnc2c1.
What is the InChIKey of ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate?
The InChIKey is XQMWKYMNQXMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O5/c1-2-29-18(26)10-30-20(28)24-13-4-5-14-17(8-13)23-11-25(19(14)27)9-12-3-6-15(21)16(22)7-12/h3-8,11H,2,9-10H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate?
ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate has a molecular weight of 450.28 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate is sourced from PubChem (CID 25157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).