1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea

C20H26N4O2 — CID 166365849

IUPAC1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea
SMILESCc1cnc(OC(C)C)c(NC(=O)NCc2cccc3c2CCCN3)c1
InChIInChI=1S/C20H26N4O2/c1-13(2)26-19-18(10-14(3)11-22-19)24-20(25)23-12-15-6-4-8-17-16(15)7-5-9-21-17/h4,6,8,10-11,13,21H,5,7,9,12H2,1-3H3,(H2,23,24,25)
InChIKeyRFJBWRWVWZSLJO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.86
Rot. Bonds5

About 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea

1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea (PubChem CID 166365849) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea
PubChem CID166365849
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea
SMILESCc1cnc(OC(C)C)c(NC(=O)NCc2cccc3c2CCCN3)c1
InChIInChI=1S/C20H26N4O2/c1-13(2)26-19-18(10-14(3)11-22-19)24-20(25)23-12-15-6-4-8-17-16(15)7-5-9-21-17/h4,6,8,10-11,13,21H,5,7,9,12H2,1-3H3,(H2,23,24,25)
InChIKeyRFJBWRWVWZSLJO-UHFFFAOYSA-N
XLogP3.86
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea with MolForge

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Related Compounds

1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
3-methyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)triazolo[4,5-b]pyridine-6-carboxamide
CID 154742725
5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 137457657
1-[(6-methyl-2-propan-2-yloxy-3-pyridinyl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-8-yl)urea
CID 53476703
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
CID 167959230
1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
N-(2-bromo-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 82747600
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 112837785
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850085

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea?
The IUPAC name of 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea (CID 166365849) is 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea.
What is the SMILES notation for 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea?
The canonical SMILES for 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea is Cc1cnc(OC(C)C)c(NC(=O)NCc2cccc3c2CCCN3)c1.
What is the InChIKey of 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea?
The InChIKey is RFJBWRWVWZSLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)26-19-18(10-14(3)11-22-19)24-20(25)23-12-15-6-4-8-17-16(15)7-5-9-21-17/h4,6,8,10-11,13,21H,5,7,9,12H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea?
1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea has a molecular weight of 354.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-propan-2-yloxy-3-pyridinyl)-3-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)urea is sourced from PubChem (CID 166365849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).