[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate

C16H18N2O3 — CID 177454092

IUPAC[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
SMILESCC(=O)OCC(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H18N2O3/c1-11(19)21-10-16(2,3)15(20)18-13-8-4-6-12-7-5-9-17-14(12)13/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRNSADQIDCMKHCN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.76
Rot. Bonds4

About [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate

[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate (PubChem CID 177454092) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate.

Molecular Properties

Compound Name[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
PubChem CID177454092
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
SMILESCC(=O)OCC(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H18N2O3/c1-11(19)21-10-16(2,3)15(20)18-13-8-4-6-12-7-5-9-17-14(12)13/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyRNSADQIDCMKHCN-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
CID 132918884
2-[(4-methoxyphenyl)methyl]-2-methyl-N-quinolin-8-ylbutanamide
CID 102136715
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
(E)-5-(4-ethylphenyl)-2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 132571626
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
carbamoyl 2-(quinolin-8-ylamino)acetate
CID 139238226

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The IUPAC name of [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate (CID 177454092) is [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate.
What is the SMILES notation for [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The canonical SMILES for [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate is CC(=O)OCC(C)(C)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
The InChIKey is RNSADQIDCMKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(19)21-10-16(2,3)15(20)18-13-8-4-6-12-7-5-9-17-14(12)13/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate?
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate has a molecular weight of 286.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate is sourced from PubChem (CID 177454092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).