1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C21H15N5O2 — CID 166486474

IUPAC1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCOc1cc(C#N)ccc1N1CC(C#N)N(c2cncc3ccccc23)C1=O
InChIInChI=1S/C21H15N5O2/c1-28-20-8-14(9-22)6-7-18(20)25-13-16(10-23)26(21(25)27)19-12-24-11-15-4-2-3-5-17(15)19/h2-8,11-12,16H,13H2,1H3
InChIKeyBMLZGDDGPKFOFV-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486474) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486474
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCOc1cc(C#N)ccc1N1CC(C#N)N(c2cncc3ccccc23)C1=O
InChIInChI=1S/C21H15N5O2/c1-28-20-8-14(9-22)6-7-18(20)25-13-16(10-23)26(21(25)27)19-12-24-11-15-4-2-3-5-17(15)19/h2-8,11-12,16H,13H2,1H3
InChIKeyBMLZGDDGPKFOFV-UHFFFAOYSA-N
XLogP3.45
TPSA93.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(4S)-3-isoquinolin-4-yl-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxoimidazolidine-4-carbonitrile
CID 166486318
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486690
(4S)-3-isoquinolin-4-yl-1-(2-methoxy-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486455
3-isoquinolin-4-yl-1-[3-methoxy-6-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carbonitrile
CID 166486370
3-isoquinolin-4-yl-1-(2-methyl-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486707
(4S)-3-isoquinolin-4-yl-1-(1-methyl-2-oxo-4-pyridinyl)-2-oxoimidazolidine-4-carbonitrile
CID 166486331
3-isoquinolin-4-yl-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-oxoimidazolidine-4-carbonitrile
CID 166486711
(4R)-1-[5-(difluoromethoxy)-2-methylphenyl]-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486607
1-(4-cyano-3-fluorophenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486338
(4S)-1-(5-chloro-3-methyl-2-pyridinyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
CID 166486683

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486474) is 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is COc1cc(C#N)ccc1N1CC(C#N)N(c2cncc3ccccc23)C1=O.
What is the InChIKey of 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is BMLZGDDGPKFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-28-20-8-14(9-22)6-7-18(20)25-13-16(10-23)26(21(25)27)19-12-24-11-15-4-2-3-5-17(15)19/h2-8,11-12,16H,13H2,1H3.
What are the key properties of 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 369.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methoxyphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).