1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea

C17H19N5O — CID 71869938

IUPAC1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCC(NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1
InChIInChI=1S/C17H19N5O/c1-12(15-10-20-22(2)11-15)21-17(23)19-9-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,10-12H,9H2,1-2H3,(H2,19,21,23)
InChIKeyVGOGQKJSLLRMMN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea

1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea (PubChem CID 71869938) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
PubChem CID71869938
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
SMILESCC(NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1
InChIInChI=1S/C17H19N5O/c1-12(15-10-20-22(2)11-15)21-17(23)19-9-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,10-12H,9H2,1-2H3,(H2,19,21,23)
InChIKeyVGOGQKJSLLRMMN-UHFFFAOYSA-N
XLogP2.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-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-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 96518471
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
1-[(2,5-dimethylfuran-3-yl)methyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71990077
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The IUPAC name of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea (CID 71869938) is 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea.
What is the SMILES notation for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The canonical SMILES for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea is CC(NC(=O)NCc1cccc2cccnc12)c1cnn(C)c1.
What is the InChIKey of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
The InChIKey is VGOGQKJSLLRMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(15-10-20-22(2)11-15)21-17(23)19-9-14-6-3-5-13-7-4-8-18-16(13)14/h3-8,10-12H,9H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea?
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea has a molecular weight of 309.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(quinolin-8-ylmethyl)urea is sourced from PubChem (CID 71869938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).