1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea

C21H25N3O2 — CID 24960233

IUPAC1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
SMILESCN1CC(NC(=O)Nc2cccc3c2CC(O)CC3)Cc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-24-13-16(11-15-5-2-3-8-20(15)24)22-21(26)23-19-7-4-6-14-9-10-17(25)12-18(14)19/h2-8,16-17,25H,9-13H2,1H3,(H2,22,23,26)
InChIKeyKTQLJLSYQVZDHA-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.72
Rot. Bonds2

About 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea (PubChem CID 24960233) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
PubChem CID24960233
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea
SMILESCN1CC(NC(=O)Nc2cccc3c2CC(O)CC3)Cc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-24-13-16(11-15-5-2-3-8-20(15)24)22-21(26)23-19-7-4-6-14-9-10-17(25)12-18(14)19/h2-8,16-17,25H,9-13H2,1H3,(H2,22,23,26)
InChIKeyKTQLJLSYQVZDHA-UHFFFAOYSA-N
XLogP2.72
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea?
The IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea (CID 24960233) is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea.
What is the SMILES notation for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea?
The canonical SMILES for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea is CN1CC(NC(=O)Nc2cccc3c2CC(O)CC3)Cc2ccccc21.
What is the InChIKey of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea?
The InChIKey is KTQLJLSYQVZDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-13-16(11-15-5-2-3-8-20(15)24)22-21(26)23-19-7-4-6-14-9-10-17(25)12-18(14)19/h2-8,16-17,25H,9-13H2,1H3,(H2,22,23,26).
What are the key properties of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea?
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea has a molecular weight of 351.45 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)urea is sourced from PubChem (CID 24960233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).