[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate

C32H28Cl2N4O7 — CID 159832157

IUPAC[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate
SMILESCC(=O)OCC(=O)CNC(=O)Cc1ccc2ncc(Cl)cc2c1.CC(=O)OCc1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C16H15ClN2O4.C16H13ClN2O3/c1-10(20)23-9-14(21)8-19-16(22)5-11-2-3-15-12(4-11)6-13(17)7-18-15;1-10(20)21-9-14-8-19-16(22-14)5-11-2-3-15-12(4-11)6-13(17)7-18-15/h2-4,6-7H,5,8-9H2,1H3,(H,19,22);2-4,6-8H,5,9H2,1H3
InChIKeyNNPBJBDPONZPIN-UHFFFAOYSA-N
MW651.50 g/mol
LogP5.21
Rot. Bonds10

About [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate

[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate (PubChem CID 159832157) has the molecular formula C32H28Cl2N4O7 and a molecular weight of 651.50 g/mol. Its IUPAC name is [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate
PubChem CID159832157
Molecular FormulaC32H28Cl2N4O7
Molecular Weight651.50 g/mol
Exact Mass650.13
IUPAC Name[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate
SMILESCC(=O)OCC(=O)CNC(=O)Cc1ccc2ncc(Cl)cc2c1.CC(=O)OCc1cnc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/C16H15ClN2O4.C16H13ClN2O3/c1-10(20)23-9-14(21)8-19-16(22)5-11-2-3-15-12(4-11)6-13(17)7-18-15;1-10(20)21-9-14-8-19-16(22-14)5-11-2-3-15-12(4-11)6-13(17)7-18-15/h2-4,6-7H,5,8-9H2,1H3,(H,19,22);2-4,6-8H,5,9H2,1H3
InChIKeyNNPBJBDPONZPIN-UHFFFAOYSA-N
XLogP5.21
TPSA150.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate with MolForge

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Related Compounds

2-(3-chloroquinolin-6-yl)acetohydrazide
CID 134178519
ethane;ethyl 2-[2-[2-(3-chloroquinolin-6-yl)acetyl]hydrazinyl]-2-oxoacetate
CID 145441118
[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
CID 145441114
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-5-carboxamide
CID 139330305
5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354526
5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
CID 135354689
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid
CID 134178437
2-[(3-chloroquinolin-6-yl)methyl]-N-(3-ethyliminopropyl)pyridine-4-carboxamide
CID 145002112
N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 134178028
N-[[4-amino-3-(difluoromethoxy)-2-fluorophenyl]methyl]-2-[(3-chloroquinolin-6-yl)methyl]pyridine-4-carboxamide;ethane
CID 177191376
5-[(3-chloroquinolin-6-yl)methyl]-2-methyl-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 135354686
2-[(3-chloroquinolin-6-yl)methyl]-N-[[2-methyl-6-(2-phenylmethoxyethylamino)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 126501547

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate?
The IUPAC name of [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate (CID 159832157) is [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate.
What is the SMILES notation for [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate?
The canonical SMILES for [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate is CC(=O)OCC(=O)CNC(=O)Cc1ccc2ncc(Cl)cc2c1.CC(=O)OCc1cnc(Cc2ccc3ncc(Cl)cc3c2)o1.
What is the InChIKey of [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate?
The InChIKey is NNPBJBDPONZPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4.C16H13ClN2O3/c1-10(20)23-9-14(21)8-19-16(22)5-11-2-3-15-12(4-11)6-13(17)7-18-15;1-10(20)21-9-14-8-19-16(22-14)5-11-2-3-15-12(4-11)6-13(17)7-18-15/h2-4,6-7H,5,8-9H2,1H3,(H,19,22);2-4,6-8H,5,9H2,1H3.
What are the key properties of [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate?
[3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate has a molecular weight of 651.50 g/mol, XLogP of 5.21, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3-chloroquinolin-6-yl)acetyl]amino]-2-oxopropyl] acetate;[2-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazol-5-yl]methyl acetate is sourced from PubChem (CID 159832157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).