[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

C20H18ClN3O5 — CID 7995034

IUPAC[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H18ClN3O5/c1-12(19(26)23-16-9-13(21)7-8-17(16)28-2)29-18(25)10-24-11-22-15-6-4-3-5-14(15)20(24)27/h3-9,11-12H,10H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyKJUIEKPYWZAANS-GFCCVEGCSA-N
MW415.83 g/mol
LogP2.63
Rot. Bonds6

About [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995034) has the molecular formula C20H18ClN3O5 and a molecular weight of 415.83 g/mol. Its IUPAC name is [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995034
Molecular FormulaC20H18ClN3O5
Molecular Weight415.83 g/mol
Exact Mass415.09
IUPAC Name[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C20H18ClN3O5/c1-12(19(26)23-16-9-13(21)7-8-17(16)28-2)29-18(25)10-24-11-22-15-6-4-3-5-14(15)20(24)27/h3-9,11-12H,10H2,1-2H3,(H,23,26)/t12-/m1/s1
InChIKeyKJUIEKPYWZAANS-GFCCVEGCSA-N
XLogP2.63
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

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Related Compounds

[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 46661338
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 55321089
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995179
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994832
(4-chloro-2-methylphenyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 4784076
[1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 18269553
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983810
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983816
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 2630739

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995034) is [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is KJUIEKPYWZAANS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18ClN3O5/c1-12(19(26)23-16-9-13(21)7-8-17(16)28-2)29-18(25)10-24-11-22-15-6-4-3-5-14(15)20(24)27/h3-9,11-12H,10H2,1-2H3,(H,23,26)/t12-/m1/s1.
What are the key properties of [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate?
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 415.83 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).