1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea

C19H23N3O — CID 23607928

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C19H23N3O/c1-15-7-2-4-10-17(15)21-19(23)20-12-14-22-13-6-9-16-8-3-5-11-18(16)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H2,20,21,23)
InChIKeyCJQRJKHPCZBXFP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.57
Rot. Bonds4

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea

1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 23607928) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID23607928
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCN1CCCc2ccccc21
InChIInChI=1S/C19H23N3O/c1-15-7-2-4-10-17(15)21-19(23)20-12-14-22-13-6-9-16-8-3-5-11-18(16)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H2,20,21,23)
InChIKeyCJQRJKHPCZBXFP-UHFFFAOYSA-N
XLogP3.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(3,5-dimethylphenyl)urea
CID 23609343
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
1-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-3-(4-methylsulfonylphenyl)urea
CID 72864977
1-(2,5-dichlorophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
CID 10172651
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56869134
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea (CID 23607928) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCN1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is CJQRJKHPCZBXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-7-2-4-10-17(15)21-19(23)20-12-14-22-13-6-9-16-8-3-5-11-18(16)22/h2-5,7-8,10-11H,6,9,12-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 309.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 23607928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).