1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

C17H18ClN3O — CID 110750893

IUPAC1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H18ClN3O/c1-21-10-9-15(14-7-2-3-8-16(14)21)20-17(22)19-13-6-4-5-12(18)11-13/h2-8,11,15H,9-10H2,1H3,(H2,19,20,22)
InChIKeyKRNSEHNFXFIDAO-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.04
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea

1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (PubChem CID 110750893) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
PubChem CID110750893
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H18ClN3O/c1-21-10-9-15(14-7-2-3-8-16(14)21)20-17(22)19-13-6-4-5-12(18)11-13/h2-8,11,15H,9-10H2,1H3,(H2,19,20,22)
InChIKeyKRNSEHNFXFIDAO-UHFFFAOYSA-N
XLogP4.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751426
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
CID 4064098
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
1-(3-chlorophenyl)-3-(2,3-dioxo-4,5-dihydro-1H-1-benzazepin-5-yl)urea
CID 57123751
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
N-(4-chlorophenyl)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 143284729
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182590
1-[3-(aminomethyl)phenyl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 106257725

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (CID 110750893) is 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is CN1CCC(NC(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The InChIKey is KRNSEHNFXFIDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-21-10-9-15(14-7-2-3-8-16(14)21)20-17(22)19-13-6-4-5-12(18)11-13/h2-8,11,15H,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea has a molecular weight of 315.80 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is sourced from PubChem (CID 110750893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).