1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea

C26H29N5O2 — CID 126518445

IUPAC1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea
SMILESCOc1c(NCCNC(=O)NC2CCCCC2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C26H29N5O2/c1-33-25-22-9-5-8-21(19-12-10-18(16-27)11-13-19)24(22)30-17-23(25)28-14-15-29-26(32)31-20-6-3-2-4-7-20/h5,8-13,17,20,28H,2-4,6-7,14-15H2,1H3,(H2,29,31,32)
InChIKeyNMVLXUNSCJRFLH-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.83
Rot. Bonds7

About 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea

1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea (PubChem CID 126518445) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea
PubChem CID126518445
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea
SMILESCOc1c(NCCNC(=O)NC2CCCCC2)cnc2c(-c3ccc(C#N)cc3)cccc12
InChIInChI=1S/C26H29N5O2/c1-33-25-22-9-5-8-21(19-12-10-18(16-27)11-13-19)24(22)30-17-23(25)28-14-15-29-26(32)31-20-6-3-2-4-7-20/h5,8-13,17,20,28H,2-4,6-7,14-15H2,1H3,(H2,29,31,32)
InChIKeyNMVLXUNSCJRFLH-UHFFFAOYSA-N
XLogP4.83
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea 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-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-(3-methylphenyl)urea
CID 126518552
ethyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate
CID 126517958
propyl N-[2-[4-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]anilino]ethyl]carbamate
CID 126518188
4-[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-4-methoxyquinolin-8-yl]benzonitrile
CID 118407227
N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 126509856
4-[3-[6-[3,5-dimethyl-4-(2-oxobutanoyl)piperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 144929684
4-[4-methoxy-3-[4-(2-pyridin-4-ylacetyl)piperazin-1-yl]quinolin-8-yl]benzonitrile
CID 118407226
1-cyclohexyl-3-[2-(2-nitroanilino)ethyl]urea
CID 47009180
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
4-[3-[6-[(3R,5S)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518129
1-(2-anilinoethyl)-3-cyclohexylurea
CID 22978773
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
CID 110775953

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea (CID 126518445) is 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea is COc1c(NCCNC(=O)NC2CCCCC2)cnc2c(-c3ccc(C#N)cc3)cccc12.
What is the InChIKey of 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea?
The InChIKey is NMVLXUNSCJRFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-33-25-22-9-5-8-21(19-12-10-18(16-27)11-13-19)24(22)30-17-23(25)28-14-15-29-26(32)31-20-6-3-2-4-7-20/h5,8-13,17,20,28H,2-4,6-7,14-15H2,1H3,(H2,29,31,32).
What are the key properties of 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea?
1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea has a molecular weight of 443.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]amino]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 126518445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).