N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide

C20H17FN4O — CID 133329971

IUPACN-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2cc(C#N)nc3ccccc23)cc1F
InChIInChI=1S/C20H17FN4O/c1-13-6-7-14(10-17(13)21)20(26)24-9-8-23-19-11-15(12-22)25-18-5-3-2-4-16(18)19/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeySQBYVZBTGQZNEY-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.40
Rot. Bonds5

About N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide

N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide (PubChem CID 133329971) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
PubChem CID133329971
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2cc(C#N)nc3ccccc23)cc1F
InChIInChI=1S/C20H17FN4O/c1-13-6-7-14(10-17(13)21)20(26)24-9-8-23-19-11-15(12-22)25-18-5-3-2-4-16(18)19/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeySQBYVZBTGQZNEY-UHFFFAOYSA-N
XLogP3.40
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-[(2-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133271470
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 35350648
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 120587900
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830787
N-[2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 122324645
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-methoxybenzamide
CID 47037739
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide (CID 133329971) is N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCNc2cc(C#N)nc3ccccc23)cc1F.
What is the InChIKey of N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
The InChIKey is SQBYVZBTGQZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-6-7-14(10-17(13)21)20(26)24-9-8-23-19-11-15(12-22)25-18-5-3-2-4-16(18)19/h2-7,10-11H,8-9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide?
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide has a molecular weight of 348.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 133329971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).