[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate

C22H24Cl2N2O2 — CID 90185551

IUPAC[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate
SMILESCC1(C)CC(c2cc(Cl)ccc2Cl)Nc2ccc(OC(=O)NC3CCC3)cc21
InChIInChI=1S/C22H24Cl2N2O2/c1-22(2)12-20(16-10-13(23)6-8-18(16)24)26-19-9-7-15(11-17(19)22)28-21(27)25-14-4-3-5-14/h6-11,14,20,26H,3-5,12H2,1-2H3,(H,25,27)
InChIKeyXIGHAULPDCXRSF-UHFFFAOYSA-N
MW419.35 g/mol
LogP6.47
Rot. Bonds3

About [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate

[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate (PubChem CID 90185551) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate
PubChem CID90185551
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate
SMILESCC1(C)CC(c2cc(Cl)ccc2Cl)Nc2ccc(OC(=O)NC3CCC3)cc21
InChIInChI=1S/C22H24Cl2N2O2/c1-22(2)12-20(16-10-13(23)6-8-18(16)24)26-19-9-7-15(11-17(19)22)28-21(27)25-14-4-3-5-14/h6-11,14,20,26H,3-5,12H2,1-2H3,(H,25,27)
InChIKeyXIGHAULPDCXRSF-UHFFFAOYSA-N
XLogP6.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate?
The IUPAC name of [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate (CID 90185551) is [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate.
What is the SMILES notation for [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate?
The canonical SMILES for [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate is CC1(C)CC(c2cc(Cl)ccc2Cl)Nc2ccc(OC(=O)NC3CCC3)cc21.
What is the InChIKey of [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate?
The InChIKey is XIGHAULPDCXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-22(2)12-20(16-10-13(23)6-8-18(16)24)26-19-9-7-15(11-17(19)22)28-21(27)25-14-4-3-5-14/h6-11,14,20,26H,3-5,12H2,1-2H3,(H,25,27).
What are the key properties of [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate?
[2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate has a molecular weight of 419.35 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinolin-6-yl] N-cyclobutylcarbamate is sourced from PubChem (CID 90185551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).