ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate

C19H24ClN3O4 — CID 42712369

IUPACethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C19H24ClN3O4/c1-5-23-18(21-15-11-13(20)7-8-14(15)19(23)26)12(3)22(4)16(24)9-10-17(25)27-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyJWLNJIZZELZMDM-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.93
Rot. Bonds7

About ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate

ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate (PubChem CID 42712369) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
PubChem CID42712369
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Nameethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N(C)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC
InChIInChI=1S/C19H24ClN3O4/c1-5-23-18(21-15-11-13(20)7-8-14(15)19(23)26)12(3)22(4)16(24)9-10-17(25)27-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyJWLNJIZZELZMDM-UHFFFAOYSA-N
XLogP2.93
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42711700
3-(3-bromophenyl)-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-methylurea
CID 42713826
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-cyclopentyl-N-[2-(dimethylamino)ethyl]propanamide
CID 42714590
N-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-methyl-2-phenylacetamide
CID 42711163
ethyl 4-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl-hexylamino]-4-oxobutanoate
CID 42711715
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 42714597
2-chloro-N-[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylacetamide
CID 1060367
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)-2-phenylmethoxyacetamide
CID 42712325
[(1S)-1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-(2-methoxyethyl)azanium
CID 7144752
ethyl 4-[[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]butanoate
CID 55322443

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate (CID 42712369) is ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate is CCOC(=O)CCC(=O)N(C)C(C)c1nc2cc(Cl)ccc2c(=O)n1CC.
What is the InChIKey of ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
The InChIKey is JWLNJIZZELZMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-5-23-18(21-15-11-13(20)7-8-14(15)19(23)26)12(3)22(4)16(24)9-10-17(25)27-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate?
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate has a molecular weight of 393.87 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate is sourced from PubChem (CID 42712369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).