8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide

C16H18ClN3O2 — CID 99926856

IUPAC8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)NC
InChIInChI=1S/C16H18ClN3O2/c1-3-5-12(15(21)18-2)20-16(22)13-9-8-10-6-4-7-11(17)14(10)19-13/h4,6-9,12H,3,5H2,1-2H3,(H,18,21)(H,20,22)/t12-/m1/s1
InChIKeyYXTSZGSTKXTQCN-GFCCVEGCSA-N
MW319.79 g/mol
LogP2.53
Rot. Bonds5

About 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide

8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide (PubChem CID 99926856) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
PubChem CID99926856
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)NC
InChIInChI=1S/C16H18ClN3O2/c1-3-5-12(15(21)18-2)20-16(22)13-9-8-10-6-4-7-11(17)14(10)19-13/h4,6-9,12H,3,5H2,1-2H3,(H,18,21)(H,20,22)/t12-/m1/s1
InChIKeyYXTSZGSTKXTQCN-GFCCVEGCSA-N
XLogP2.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide (CID 99926856) is 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide is CCC[C@@H](NC(=O)c1ccc2cccc(Cl)c2n1)C(=O)NC.
What is the InChIKey of 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide?
The InChIKey is YXTSZGSTKXTQCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-3-5-12(15(21)18-2)20-16(22)13-9-8-10-6-4-7-11(17)14(10)19-13/h4,6-9,12H,3,5H2,1-2H3,(H,18,21)(H,20,22)/t12-/m1/s1.
What are the key properties of 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide?
8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(2R)-1-(methylamino)-1-oxopentan-2-yl]quinoline-2-carboxamide is sourced from PubChem (CID 99926856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).