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

C16H16N4O — CID 115657281

IUPACN-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cnc2ccccc2c1NCCNC(=O)C1CC1
InChIInChI=1S/C16H16N4O/c17-9-12-10-20-14-4-2-1-3-13(14)15(12)18-7-8-19-16(21)11-5-6-11/h1-4,10-11H,5-8H2,(H,18,20)(H,19,21)
InChIKeyICZWNIYODJCVNQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.04
Rot. Bonds5

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

N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115657281) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115657281
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESN#Cc1cnc2ccccc2c1NCCNC(=O)C1CC1
InChIInChI=1S/C16H16N4O/c17-9-12-10-20-14-4-2-1-3-13(14)15(12)18-7-8-19-16(21)11-5-6-11/h1-4,10-11H,5-8H2,(H,18,20)(H,19,21)
InChIKeyICZWNIYODJCVNQ-UHFFFAOYSA-N
XLogP2.04
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.04
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-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
CID 133316214
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]quinoline-3-carbonitrile
CID 133354904
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115649355
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carbonitrile
CID 43668939
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828
4-[(5-methylpyrazin-2-yl)methylamino]quinoline-3-carbonitrile
CID 62846842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 115657281) is N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide is N#Cc1cnc2ccccc2c1NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ICZWNIYODJCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-12-10-20-14-4-2-1-3-13(14)15(12)18-7-8-19-16(21)11-5-6-11/h1-4,10-11H,5-8H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115657281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).