1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea

C22H25N3O3 — CID 167858635

IUPAC1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea
SMILESCOc1ccc2c(c1)CCCC2NC(=O)NC1Cc2ccccc2N(C)C1=O
InChIInChI=1S/C22H25N3O3/c1-25-20-9-4-3-6-15(20)13-19(21(25)26)24-22(27)23-18-8-5-7-14-12-16(28-2)10-11-17(14)18/h3-4,6,9-12,18-19H,5,7-8,13H2,1-2H3,(H2,23,24,27)
InChIKeyQIDINLIQIBYPPQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.96
Rot. Bonds3

About 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea (PubChem CID 167858635) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea.

Molecular Properties

Compound Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea
PubChem CID167858635
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea
SMILESCOc1ccc2c(c1)CCCC2NC(=O)NC1Cc2ccccc2N(C)C1=O
InChIInChI=1S/C22H25N3O3/c1-25-20-9-4-3-6-15(20)13-19(21(25)26)24-22(27)23-18-8-5-7-14-12-16(28-2)10-11-17(14)18/h3-4,6,9-12,18-19H,5,7-8,13H2,1-2H3,(H2,23,24,27)
InChIKeyQIDINLIQIBYPPQ-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea?
The IUPAC name of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea (CID 167858635) is 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea.
What is the SMILES notation for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea?
The canonical SMILES for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea is COc1ccc2c(c1)CCCC2NC(=O)NC1Cc2ccccc2N(C)C1=O.
What is the InChIKey of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea?
The InChIKey is QIDINLIQIBYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-20-9-4-3-6-15(20)13-19(21(25)26)24-22(27)23-18-8-5-7-14-12-16(28-2)10-11-17(14)18/h3-4,6,9-12,18-19H,5,7-8,13H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea?
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea has a molecular weight of 379.46 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-3-yl)urea is sourced from PubChem (CID 167858635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).