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

C21H20N2O2 — CID 175296735

IUPAC(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
SMILESCC1(C)Cc2cc(-c3cnc4ccccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O2/c1-21(2)11-15-9-13(7-8-17(15)19(21)25-20(22)24)16-10-14-5-3-4-6-18(14)23-12-16/h3-10,12,19H,11H2,1-2H3,(H2,22,24)
InChIKeyRNCSCLBAMRSPIX-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.62
Rot. Bonds2

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

(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate (PubChem CID 175296735) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
PubChem CID175296735
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate
SMILESCC1(C)Cc2cc(-c3cnc4ccccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C21H20N2O2/c1-21(2)11-15-9-13(7-8-17(15)19(21)25-20(22)24)16-10-14-5-3-4-6-18(14)23-12-16/h3-10,12,19H,11H2,1-2H3,(H2,22,24)
InChIKeyRNCSCLBAMRSPIX-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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Related Compounds

[5-(4-butoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296580
[2,2-dimethyl-5-(3-methylsulfanylphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175378977
[2,2-dimethyl-5-[4-(2-methylpropyl)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296612
[2,2-dimethyl-5-[2-(trifluoromethoxy)phenyl]-1,3-dihydroinden-1-yl] carbamate
CID 175296610
(3,3-dimethyl-7-quinolin-6-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253946
[6-(3-fluorophenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296738
[(1R)-2,2-dimethyl-5-(3-methyl-4-propoxyphenyl)-1,3-dihydroinden-1-yl] carbamate
CID 175498011
[5-(2,5-dimethylphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296886
(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
CID 175253181
[5-(5-cyano-2-methoxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296942
[6-(2-fluorophenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568714
[5-[3-(dimethylamino)phenyl]-2,2-diethyl-1,3-dihydroinden-1-yl] carbamate
CID 175296583

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate?
The IUPAC name of (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate (CID 175296735) is (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate.
What is the SMILES notation for (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate?
The canonical SMILES for (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate is CC1(C)Cc2cc(-c3cnc4ccccc4c3)ccc2C1OC(N)=O.
What is the InChIKey of (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate?
The InChIKey is RNCSCLBAMRSPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-21(2)11-15-9-13(7-8-17(15)19(21)25-20(22)24)16-10-14-5-3-4-6-18(14)23-12-16/h3-10,12,19H,11H2,1-2H3,(H2,22,24).
What are the key properties of (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate?
(2,2-dimethyl-5-quinolin-3-yl-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 (2,2-dimethyl-5-quinolin-3-yl-1,3-dihydroinden-1-yl) carbamate is sourced from PubChem (CID 175296735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).