3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea

C19H20N4O — CID 166362232

IUPAC3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea
SMILESCc1cc(NC(=O)N(C)Cc2cccc3ncccc23)c(C)cn1
InChIInChI=1S/C19H20N4O/c1-13-11-21-14(2)10-18(13)22-19(24)23(3)12-15-6-4-8-17-16(15)7-5-9-20-17/h4-11H,12H2,1-3H3,(H,21,22,24)
InChIKeyJCZIYJMRKQUNMS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.91
Rot. Bonds3

About 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea

3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea (PubChem CID 166362232) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea
PubChem CID166362232
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea
SMILESCc1cc(NC(=O)N(C)Cc2cccc3ncccc23)c(C)cn1
InChIInChI=1S/C19H20N4O/c1-13-11-21-14(2)10-18(13)22-19(24)23(3)12-15-6-4-8-17-16(15)7-5-9-20-17/h4-11H,12H2,1-3H3,(H,21,22,24)
InChIKeyJCZIYJMRKQUNMS-UHFFFAOYSA-N
XLogP3.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46964855
N-[2-[methyl(quinolin-5-ylmethyl)amino]-2-oxoethyl]benzamide
CID 70751619
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
4-chloro-6-methyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 81230952
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 56905197
5-hydroxy-N,1,2-trimethyl-N-(quinolin-5-ylmethyl)indole-3-carboxamide
CID 56889219
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(quinolin-5-ylmethyl)benzamide
CID 70732520
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 97188254
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829
1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1-(naphthalen-1-ylmethyl)urea
CID 87008976

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea?
The IUPAC name of 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea (CID 166362232) is 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea.
What is the SMILES notation for 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea?
The canonical SMILES for 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea is Cc1cc(NC(=O)N(C)Cc2cccc3ncccc23)c(C)cn1.
What is the InChIKey of 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea?
The InChIKey is JCZIYJMRKQUNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-11-21-14(2)10-18(13)22-19(24)23(3)12-15-6-4-8-17-16(15)7-5-9-20-17/h4-11H,12H2,1-3H3,(H,21,22,24).
What are the key properties of 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea?
3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea has a molecular weight of 320.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea is sourced from PubChem (CID 166362232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).