1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

C21H21N3O — CID 113214114

IUPAC1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESCc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(11-12-21)14-23-20(25)24-18-6-2-4-16-5-3-13-22-19(16)18/h2-10,13H,11-12,14H2,1H3,(H2,23,24,25)
InChIKeyWIPLGVQUVRFHQC-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.40
Rot. Bonds4

About 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (PubChem CID 113214114) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
PubChem CID113214114
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESCc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(11-12-21)14-23-20(25)24-18-6-2-4-16-5-3-13-22-19(16)18/h2-10,13H,11-12,14H2,1H3,(H2,23,24,25)
InChIKeyWIPLGVQUVRFHQC-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214552
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214406
1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214884
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 132572979
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023833
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (CID 113214114) is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is Cc1ccc(C2(CNC(=O)Nc3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The InChIKey is WIPLGVQUVRFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15-7-9-17(10-8-15)21(11-12-21)14-23-20(25)24-18-6-2-4-16-5-3-13-22-19(16)18/h2-10,13H,11-12,14H2,1H3,(H2,23,24,25).
What are the key properties of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea has a molecular weight of 331.42 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 113214114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).