6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile

C15H12ClN5O2 — CID 133310077

IUPAC6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCN2C(=O)CNC2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C15H12ClN5O2/c16-10-1-2-12-11(6-10)9(7-17)5-13(20-12)18-3-4-21-14(22)8-19-15(21)23/h1-2,5-6H,3-4,8H2,(H,18,20)(H,19,23)
InChIKeyUNFZUOHUNMCPBM-UHFFFAOYSA-N
MW329.75 g/mol
LogP1.72
Rot. Bonds4

About 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile

6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile (PubChem CID 133310077) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
PubChem CID133310077
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
SMILESN#Cc1cc(NCCN2C(=O)CNC2=O)nc2ccc(Cl)cc12
InChIInChI=1S/C15H12ClN5O2/c16-10-1-2-12-11(6-10)9(7-17)5-13(20-12)18-3-4-21-14(22)8-19-15(21)23/h1-2,5-6H,3-4,8H2,(H,18,20)(H,19,23)
InChIKeyUNFZUOHUNMCPBM-UHFFFAOYSA-N
XLogP1.72
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
6-chloro-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 133428808
3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
CID 167200226
N-[2-[(6-chloro-4-cyanoquinolin-2-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387641
6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
6-chloro-2-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]quinoline-4-carbonitrile
CID 133309917
1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
CID 131907640
6-chloro-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-4-carbonitrile
CID 133309480
6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
CID 133304489
6-chloro-2-[4-(imidazol-1-ylmethyl)anilino]quinoline-4-carbonitrile
CID 133426085
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile?
The IUPAC name of 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile (CID 133310077) is 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile?
The canonical SMILES for 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile is N#Cc1cc(NCCN2C(=O)CNC2=O)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile?
The InChIKey is UNFZUOHUNMCPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-10-1-2-12-11(6-10)9(7-17)5-13(20-12)18-3-4-21-14(22)8-19-15(21)23/h1-2,5-6H,3-4,8H2,(H,18,20)(H,19,23).
What are the key properties of 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile?
6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile has a molecular weight of 329.75 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile is sourced from PubChem (CID 133310077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).