1-cyclohexyl-1-methyl-3-quinolin-7-ylurea

C17H21N3O — CID 69259812

IUPAC1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
SMILESCN(C(=O)Nc1ccc2cccnc2c1)C1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20(15-7-3-2-4-8-15)17(21)19-14-10-9-13-6-5-11-18-16(13)12-14/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyOFKGGQLQAWSFJV-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.03
Rot. Bonds2

About 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea

1-cyclohexyl-1-methyl-3-quinolin-7-ylurea (PubChem CID 69259812) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
PubChem CID69259812
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-cyclohexyl-1-methyl-3-quinolin-7-ylurea
SMILESCN(C(=O)Nc1ccc2cccnc2c1)C1CCCCC1
InChIInChI=1S/C17H21N3O/c1-20(15-7-3-2-4-8-15)17(21)19-14-10-9-13-6-5-11-18-16(13)12-14/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,21)
InChIKeyOFKGGQLQAWSFJV-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea (CID 69259812) is 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea is CN(C(=O)Nc1ccc2cccnc2c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea?
The InChIKey is OFKGGQLQAWSFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(15-7-3-2-4-8-15)17(21)19-14-10-9-13-6-5-11-18-16(13)12-14/h5-6,9-12,15H,2-4,7-8H2,1H3,(H,19,21).
What are the key properties of 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea?
1-cyclohexyl-1-methyl-3-quinolin-7-ylurea has a molecular weight of 283.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-quinolin-7-ylurea is sourced from PubChem (CID 69259812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).