1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

C18H19N5O — CID 11594915

IUPAC1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-23-10-9-15(12-5-2-3-8-17(12)23)21-18(24)20-14-6-4-7-16-13(14)11-19-22-16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H2,20,21,24)
InChIKeyADEBLLBBBCQCDI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.27
Rot. Bonds2

About 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (PubChem CID 11594915) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
PubChem CID11594915
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-23-10-9-15(12-5-2-3-8-17(12)23)21-18(24)20-14-6-4-7-16-13(14)11-19-22-16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H2,20,21,24)
InChIKeyADEBLLBBBCQCDI-UHFFFAOYSA-N
XLogP3.27
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (CID 11594915) is 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is CN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccccc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The InChIKey is ADEBLLBBBCQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23-10-9-15(12-5-2-3-8-17(12)23)21-18(24)20-14-6-4-7-16-13(14)11-19-22-16/h2-8,11,15H,9-10H2,1H3,(H,19,22)(H2,20,21,24).
What are the key properties of 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea has a molecular weight of 321.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is sourced from PubChem (CID 11594915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).