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

C18H21N3O — CID 110750894

IUPAC1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-12-11-16(15-9-5-6-10-17(15)21)20-18(22)19-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H2,19,20,22)
InChIKeyGKSBDCIYLZPVQS-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.07
Rot. Bonds3

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

1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (PubChem CID 110750894) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
PubChem CID110750894
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
SMILESCN1CCC(NC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-21-12-11-16(15-9-5-6-10-17(15)21)20-18(22)19-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H2,19,20,22)
InChIKeyGKSBDCIYLZPVQS-UHFFFAOYSA-N
XLogP3.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410
N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)propanamide
CID 110751361
2-(2-chlorophenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751426
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
2-(4-methoxyphenyl)-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetamide
CID 110751393
1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
1-(3-chlorophenyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750893
1-[2-(3,3-difluorocyclopentyl)ethyl]-3-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl)urea
CID 166370121
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96970148
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 56800336

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The IUPAC name of 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea (CID 110750894) is 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is CN1CCC(NC(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
The InChIKey is GKSBDCIYLZPVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-12-11-16(15-9-5-6-10-17(15)21)20-18(22)19-13-14-7-3-2-4-8-14/h2-10,16H,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea?
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea has a molecular weight of 295.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea is sourced from PubChem (CID 110750894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).