1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea

C20H25N3O2 — CID 110907686

IUPAC1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCN1CCCc2cc(NC(=O)N(CCO)Cc3ccccc3)ccc21
InChIInChI=1S/C20H25N3O2/c1-22-11-5-8-17-14-18(9-10-19(17)22)21-20(25)23(12-13-24)15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,24H,5,8,11-13,15H2,1H3,(H,21,25)
InChIKeyVQBJDRNRUNXOFT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.10
Rot. Bonds5

About 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea

1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea (PubChem CID 110907686) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
PubChem CID110907686
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
SMILESCN1CCCc2cc(NC(=O)N(CCO)Cc3ccccc3)ccc21
InChIInChI=1S/C20H25N3O2/c1-22-11-5-8-17-14-18(9-10-19(17)22)21-20(25)23(12-13-24)15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,24H,5,8,11-13,15H2,1H3,(H,21,25)
InChIKeyVQBJDRNRUNXOFT-UHFFFAOYSA-N
XLogP3.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
N-(2-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3869589
N-(3,5-dimethylphenyl)-N'-(4-piperidinophenyl)urea
CID 2814211
N-(2,5-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 23762247
N-(2,3-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818457
N-(3,4-dimethylphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
CID 24818459
5H-Dibenz[b,f]azepin-5-yl[4-(2-hydroxyethyl)-1-piperazinyl]methanone
CID 657575
N-phenylcarbamoyl-1,2,3,4-tetrahydroisoquinoline
CID 808385
3-(1-Methylpiperidin-4-yl)-4-phenyl-1,4-dihydroquinazolin-2-one
CID 19423606
5,6-Dihydrobenzo[b][1]benzazepin-11-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 1070058
N-(naphthalen-1-yl)morpholine-4-carboxamide
CID 575109
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
CID 293444

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The IUPAC name of 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea (CID 110907686) is 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea.
What is the SMILES notation for 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The canonical SMILES for 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea is CN1CCCc2cc(NC(=O)N(CCO)Cc3ccccc3)ccc21.
What is the InChIKey of 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
The InChIKey is VQBJDRNRUNXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-11-5-8-17-14-18(9-10-19(17)22)21-20(25)23(12-13-24)15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,24H,5,8,11-13,15H2,1H3,(H,21,25).
What are the key properties of 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea?
1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea is sourced from PubChem (CID 110907686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).