5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide

C16H16ClN3O — CID 95281732

IUPAC5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H16ClN3O/c1-3-20(10-11(2)9-18)16(21)13-6-7-14(17)12-5-4-8-19-15(12)13/h4-8,11H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyVKDMOPYWTDUQQD-NSHDSACASA-N
MW301.78 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide

5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide (PubChem CID 95281732) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
PubChem CID95281732
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H16ClN3O/c1-3-20(10-11(2)9-18)16(21)13-6-7-14(17)12-5-4-8-19-15(12)13/h4-8,11H,3,10H2,1-2H3/t11-/m0/s1
InChIKeyVKDMOPYWTDUQQD-NSHDSACASA-N
XLogP3.51
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486
2-bromo-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 113255171
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-(2-cyanopropyl)-N-ethyl-2-hydrazinylpyridine-3-carboxamide
CID 62247908
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 95276539
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
3-bromo-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 103841866
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide (CID 95281732) is 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide is CCN(C[C@@H](C)C#N)C(=O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide?
The InChIKey is VKDMOPYWTDUQQD-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-20(10-11(2)9-18)16(21)13-6-7-14(17)12-5-4-8-19-15(12)13/h4-8,11H,3,10H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide?
5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-cyanopropyl]-N-ethylquinoline-8-carboxamide is sourced from PubChem (CID 95281732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).