isoquinolin-5-yl-(2-phenylcyclopropyl)methanone

C19H15NO — CID 114970918

IUPACisoquinolin-5-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cccc2cnccc12)C1CC1c1ccccc1
InChIInChI=1S/C19H15NO/c21-19(18-11-17(18)13-5-2-1-3-6-13)16-8-4-7-14-12-20-10-9-15(14)16/h1-10,12,17-18H,11H2
InChIKeyGJVJDSAIKDLQAU-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.22
Rot. Bonds3

About isoquinolin-5-yl-(2-phenylcyclopropyl)methanone

isoquinolin-5-yl-(2-phenylcyclopropyl)methanone (PubChem CID 114970918) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-phenylcyclopropyl)methanone
PubChem CID114970918
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Nameisoquinolin-5-yl-(2-phenylcyclopropyl)methanone
SMILESO=C(c1cccc2cnccc12)C1CC1c1ccccc1
InChIInChI=1S/C19H15NO/c21-19(18-11-17(18)13-5-2-1-3-6-13)16-8-4-7-14-12-20-10-9-15(14)16/h1-10,12,17-18H,11H2
InChIKeyGJVJDSAIKDLQAU-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(isoquinoline-5-carbonyl)-4-phenylpyrrolidine-1-carboxylic acid
CID 166790511
(2-phenylcyclopropyl)-quinolin-8-ylmethanone
CID 115790655
isoquinolin-5-yl-(2-methylpyrrolidin-3-yl)methanone
CID 116592253
isoquinolin-5-yl-(2-methyloxolan-3-yl)methanone
CID 114970982
isoquinolin-5-yl-(3-methylpiperidin-4-yl)methanone
CID 114278955
(2S,3S,6R)-1-(isoquinoline-5-carbonyl)-2,6-dimethylpiperidine-3-carboxylic acid
CID 167876887
N-[[(3R,4S)-4-phenylpyrrolidin-3-yl]methyl]isoquinoline-5-carboxamide
CID 158403955
1-benzothiophen-7-yl-(2-phenylcyclopropyl)methanone
CID 115791036
(3S,4R)-N-isoquinolin-5-yl-4-phenylpyrrolidine-3-carboxamide
CID 156839400
2-(isoquinoline-5-carbonylamino)adamantane-2-carboxylic acid
CID 167824202
(3R,4S)-N-isoquinolin-5-yl-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 156839388
(2,6-dimethyl-3-pyridinyl)-(2-phenylcyclopropyl)methanone
CID 105134802

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-phenylcyclopropyl)methanone?
The IUPAC name of isoquinolin-5-yl-(2-phenylcyclopropyl)methanone (CID 114970918) is isoquinolin-5-yl-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for isoquinolin-5-yl-(2-phenylcyclopropyl)methanone?
The canonical SMILES for isoquinolin-5-yl-(2-phenylcyclopropyl)methanone is O=C(c1cccc2cnccc12)C1CC1c1ccccc1.
What is the InChIKey of isoquinolin-5-yl-(2-phenylcyclopropyl)methanone?
The InChIKey is GJVJDSAIKDLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c21-19(18-11-17(18)13-5-2-1-3-6-13)16-8-4-7-14-12-20-10-9-15(14)16/h1-10,12,17-18H,11H2.
What are the key properties of isoquinolin-5-yl-(2-phenylcyclopropyl)methanone?
isoquinolin-5-yl-(2-phenylcyclopropyl)methanone has a molecular weight of 273.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 114970918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).