1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

C21H21N3O — CID 46208985

IUPAC1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2N1)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-14-17-13-12-16-7-2-4-10-19(16)23-17/h1-11,17,23H,12-14H2,(H2,22,24,25)
InChIKeyOCWYTBFEISGEIF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.39
Rot. Bonds3

About 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea

1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (PubChem CID 46208985) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
PubChem CID46208985
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
SMILESO=C(NCC1CCc2ccccc2N1)Nc1cccc2ccccc12
InChIInChI=1S/C21H21N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-14-17-13-12-16-7-2-4-10-19(16)23-17/h1-11,17,23H,12-14H2,(H2,22,24,25)
InChIKeyOCWYTBFEISGEIF-UHFFFAOYSA-N
XLogP4.39
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)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-(1H-indol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 70886973
1-(1-methylindol-4-yl)-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea
CID 46208984
[4-(1,2,3,4-tetrahydroquinolin-2-ylmethylcarbamoylamino)indazol-1-yl] acetate
CID 174566877
1-pyridin-2-yl-3-[[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]urea
CID 95146009
2-naphthalen-1-yl-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-ylmethyl)acetamide
CID 143997920
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2-methylphenyl) N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate
CID 143997720
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea (CID 46208985) is 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is O=C(NCC1CCc2ccccc2N1)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
The InChIKey is OCWYTBFEISGEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-14-17-13-12-16-7-2-4-10-19(16)23-17/h1-11,17,23H,12-14H2,(H2,22,24,25).
What are the key properties of 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea?
1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea has a molecular weight of 331.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)urea is sourced from PubChem (CID 46208985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).