3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile

C19H18N4O2 — CID 166486520

IUPAC3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile
SMILESN#CC1CN(C2CCCC(=O)C2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C19H18N4O2/c20-9-15-12-22(14-5-3-6-16(24)8-14)19(25)23(15)18-11-21-10-13-4-1-2-7-17(13)18/h1-2,4,7,10-11,14-15H,3,5-6,8,12H2
InChIKeyROCSTAQDAPQLCB-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.88
Rot. Bonds2

About 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile

3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile (PubChem CID 166486520) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile.

Molecular Properties

Compound Name3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile
PubChem CID166486520
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile
SMILESN#CC1CN(C2CCCC(=O)C2)C(=O)N1c1cncc2ccccc12
InChIInChI=1S/C19H18N4O2/c20-9-15-12-22(14-5-3-6-16(24)8-14)19(25)23(15)18-11-21-10-13-4-1-2-7-17(13)18/h1-2,4,7,10-11,14-15H,3,5-6,8,12H2
InChIKeyROCSTAQDAPQLCB-UHFFFAOYSA-N
XLogP2.88
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-isoquinolin-4-yl-2-oxo-1-(3-propan-2-ylcyclobutyl)imidazolidine-4-carbonitrile
CID 166486501
1-[(1R)-3,3-difluorocyclopentyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 175545767
(4R)-1-(1-acetylazetidin-3-yl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486580
(4S)-1-[(3R)-1-(2-hydroxyacetyl)pyrrolidin-3-yl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486677
(4R)-1-(5-fluoro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486302
(4R)-1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486695
(4S)-1-(5-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486556
1-(5-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486336
1-(5-chloro-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486738
3-isoquinolin-4-yl-2-oxo-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carbonitrile
CID 166486309
1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486474
(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486331

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile?
The IUPAC name of 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile (CID 166486520) is 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile.
What is the SMILES notation for 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile?
The canonical SMILES for 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile is N#CC1CN(C2CCCC(=O)C2)C(=O)N1c1cncc2ccccc12.
What is the InChIKey of 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile?
The InChIKey is ROCSTAQDAPQLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-9-15-12-22(14-5-3-6-16(24)8-14)19(25)23(15)18-11-21-10-13-4-1-2-7-17(13)18/h1-2,4,7,10-11,14-15H,3,5-6,8,12H2.
What are the key properties of 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile?
3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-2-oxo-1-(3-oxocyclohexyl)imidazolidine-4-carbonitrile is sourced from PubChem (CID 166486520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).