methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

C20H17ClN2O4 — CID 110354113

IUPACmethyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CCc2cc3ccccc3[nH]c2=O)ccc1Cl
InChIInChI=1S/C20H17ClN2O4/c1-27-20(26)15-11-14(7-8-16(15)21)22-18(24)9-6-13-10-12-4-2-3-5-17(12)23-19(13)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyCRWAMZLQYDKHCW-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.54
Rot. Bonds5

About methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (PubChem CID 110354113) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
PubChem CID110354113
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Namemethyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CCc2cc3ccccc3[nH]c2=O)ccc1Cl
InChIInChI=1S/C20H17ClN2O4/c1-27-20(26)15-11-14(7-8-16(15)21)22-18(24)9-6-13-10-12-4-2-3-5-17(12)23-19(13)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyCRWAMZLQYDKHCW-UHFFFAOYSA-N
XLogP3.54
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
N-(3,4-dimethoxyphenyl)-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331152
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (CID 110354113) is methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is COC(=O)c1cc(NC(=O)CCc2cc3ccccc3[nH]c2=O)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The InChIKey is CRWAMZLQYDKHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-27-20(26)15-11-14(7-8-16(15)21)22-18(24)9-6-13-10-12-4-2-3-5-17(12)23-19(13)25/h2-5,7-8,10-11H,6,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate has a molecular weight of 384.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 110354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).