N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide

C19H21N3O — CID 95285747

IUPACN-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-3-22(12-13(2)11-20)19(23)16-10-18(14-8-9-14)21-17-7-5-4-6-15(16)17/h4-7,10,13-14H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyVZLSMABEHPNGRL-ZDUSSCGKSA-N
MW307.40 g/mol
LogP3.73
Rot. Bonds5

About N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide

N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide (PubChem CID 95285747) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
PubChem CID95285747
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
SMILESCCN(C[C@@H](C)C#N)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H21N3O/c1-3-22(12-13(2)11-20)19(23)16-10-18(14-8-9-14)21-17-7-5-4-6-15(16)17/h4-7,10,13-14H,3,8-9,12H2,1-2H3/t13-/m0/s1
InChIKeyVZLSMABEHPNGRL-ZDUSSCGKSA-N
XLogP3.73
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119113350
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
N-[(1S)-1-cyanopropyl]-2-cyclopropylquinoline-4-carboxamide
CID 95310623
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 28786526
2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55365905
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387
N-[(2R)-2-cyanopropyl]-N-ethyl-3-hydroxyquinoline-4-carboxamide
CID 97329389
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827
6-chloro-2-cyclopropyl-N-ethyl-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 109468393

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide (CID 95285747) is N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide is CCN(C[C@@H](C)C#N)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide?
The InChIKey is VZLSMABEHPNGRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(12-13(2)11-20)19(23)16-10-18(14-8-9-14)21-17-7-5-4-6-15(16)17/h4-7,10,13-14H,3,8-9,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide?
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide is sourced from PubChem (CID 95285747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).