[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea

C16H23N3O2 — CID 60598985

IUPAC[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCCNC(N)=O
InChIInChI=1S/C16H23N3O2/c1-12-7-8-14-13(11-12)5-4-10-19(14)15(20)6-2-3-9-18-16(17)21/h7-8,11H,2-6,9-10H2,1H3,(H3,17,18,21)
InChIKeyVUFCYRPSIZMIJE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds5

About [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea

[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea (PubChem CID 60598985) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea.

Molecular Properties

Compound Name[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
PubChem CID60598985
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea
SMILESCc1ccc2c(c1)CCCN2C(=O)CCCCNC(N)=O
InChIInChI=1S/C16H23N3O2/c1-12-7-8-14-13(11-12)5-4-10-19(14)15(20)6-2-3-9-18-16(17)21/h7-8,11H,2-6,9-10H2,1H3,(H3,17,18,21)
InChIKeyVUFCYRPSIZMIJE-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea 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-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
6-amino-4,4-dimethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-1-one
CID 65293253
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
7-amino-1-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 119783373
methyl 5-(5-methyl-2,3-dihydroindol-1-yl)-5-oxopentanoate
CID 75485040
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833

Frequently Asked Questions

What is the IUPAC name of [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea?
The IUPAC name of [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea (CID 60598985) is [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea.
What is the SMILES notation for [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea?
The canonical SMILES for [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea is Cc1ccc2c(c1)CCCN2C(=O)CCCCNC(N)=O.
What is the InChIKey of [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea?
The InChIKey is VUFCYRPSIZMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-7-8-14-13(11-12)5-4-10-19(14)15(20)6-2-3-9-18-16(17)21/h7-8,11H,2-6,9-10H2,1H3,(H3,17,18,21).
What are the key properties of [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea?
[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentyl]urea is sourced from PubChem (CID 60598985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).