1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea

C21H21N3O2 — CID 112974813

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
SMILESO=C(NCCOc1ccc2c(c1)CCC2)Nc1cccc2cccnc12
InChIInChI=1S/C21H21N3O2/c25-21(24-19-8-2-5-16-7-3-11-22-20(16)19)23-12-13-26-18-10-9-15-4-1-6-17(15)14-18/h2-3,5,7-11,14H,1,4,6,12-13H2,(H2,23,24,25)
InChIKeyPVRLVXKVWRKWMX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea (PubChem CID 112974813) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
PubChem CID112974813
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea
SMILESO=C(NCCOc1ccc2c(c1)CCC2)Nc1cccc2cccnc12
InChIInChI=1S/C21H21N3O2/c25-21(24-19-8-2-5-16-7-3-11-22-20(16)19)23-12-13-26-18-10-9-15-4-1-6-17(15)14-18/h2-3,5,7-11,14H,1,4,6,12-13H2,(H2,23,24,25)
InChIKeyPVRLVXKVWRKWMX-UHFFFAOYSA-N
XLogP3.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112974787
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2-methoxyphenyl)urea
CID 112974776
1-[3-(4-tert-butylphenoxy)propyl]-3-quinolin-8-ylurea
CID 108882910
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
ethyl 2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylcarbamoylamino]benzoate
CID 112974963
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2,5-dimethoxyphenyl)-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974940
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
1-(2-phenoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976098
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
1-tert-butyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea (CID 112974813) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea is O=C(NCCOc1ccc2c(c1)CCC2)Nc1cccc2cccnc12.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea?
The InChIKey is PVRLVXKVWRKWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(24-19-8-2-5-16-7-3-11-22-20(16)19)23-12-13-26-18-10-9-15-4-1-6-17(15)14-18/h2-3,5,7-11,14H,1,4,6,12-13H2,(H2,23,24,25).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea has a molecular weight of 347.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 112974813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).