(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate

C21H20N2O2 — CID 175296707

IUPAC(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
SMILESCC1(C)Cc2cc(-c3cccc4cnccc34)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O2/c1-21(2)11-15-10-13(6-7-18(15)19(21)25-20(22)24)16-5-3-4-14-12-23-9-8-17(14)16/h3-10,12,19H,11H2,1-2H3,(H2,22,24)
InChIKeyZQNKQTCGOPVPQF-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.62
Rot. Bonds2

About (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate

(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate (PubChem CID 175296707) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate.

Molecular Properties

Compound Name(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
PubChem CID175296707
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate
SMILESCC1(C)Cc2cc(-c3cccc4cnccc34)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O2/c1-21(2)11-15-10-13(6-7-18(15)19(21)25-20(22)24)16-5-3-4-14-12-23-9-8-17(14)16/h3-10,12,19H,11H2,1-2H3,(H2,22,24)
InChIKeyZQNKQTCGOPVPQF-UHFFFAOYSA-N
XLogP4.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate?
The IUPAC name of (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate (CID 175296707) is (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate.
What is the SMILES notation for (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate?
The canonical SMILES for (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate is CC1(C)Cc2cc(-c3cccc4cnccc34)ccc2C1OC(N)=O.
What is the InChIKey of (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate?
The InChIKey is ZQNKQTCGOPVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-21(2)11-15-10-13(6-7-18(15)19(21)25-20(22)24)16-5-3-4-14-12-23-9-8-17(14)16/h3-10,12,19H,11H2,1-2H3,(H2,22,24).
What are the key properties of (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate?
(5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-isoquinolin-5-yl-2,2-dimethyl-1,3-dihydroinden-1-yl) carbamate is sourced from PubChem (CID 175296707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).