N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide

C16H17N3O2 — CID 97329389

IUPACN-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C16H17N3O2/c1-3-19(10-11(2)8-17)16(21)15-12-6-4-5-7-13(12)18-9-14(15)20/h4-7,9,11,20H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyOZVGYYYTERYIAC-NSHDSACASA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds4

About N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide

N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide (PubChem CID 97329389) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide
PubChem CID97329389
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1c(O)cnc2ccccc12
InChIInChI=1S/C16H17N3O2/c1-3-19(10-11(2)8-17)16(21)15-12-6-4-5-7-13(12)18-9-14(15)20/h4-7,9,11,20H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyOZVGYYYTERYIAC-NSHDSACASA-N
XLogP2.56
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 60513726
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
6-[2-cyanopropyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54979268
2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
CID 95281732
N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63861022
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide (CID 97329389) is N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide is CCN(C[C@@H](C)C#N)C(=O)c1c(O)cnc2ccccc12.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide?
The InChIKey is OZVGYYYTERYIAC-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-19(10-11(2)8-17)16(21)15-12-6-4-5-7-13(12)18-9-14(15)20/h4-7,9,11,20H,3,10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide?
N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide is sourced from PubChem (CID 97329389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).