1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea

C18H20N4O2 — CID 18337515

IUPAC1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea
SMILESCNC(=O)NC1CCN(C(=O)Cc2ccncc2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-19-18(24)21-15-8-11-22(16-5-3-2-4-14(15)16)17(23)12-13-6-9-20-10-7-13/h2-7,9-10,15H,8,11-12H2,1H3,(H2,19,21,24)
InChIKeyZJOKBHGZOCYKHK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.03
Rot. Bonds3

About 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea

1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea (PubChem CID 18337515) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea
PubChem CID18337515
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea
SMILESCNC(=O)NC1CCN(C(=O)Cc2ccncc2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-19-18(24)21-15-8-11-22(16-5-3-2-4-14(15)16)17(23)12-13-6-9-20-10-7-13/h2-7,9-10,15H,8,11-12H2,1H3,(H2,19,21,24)
InChIKeyZJOKBHGZOCYKHK-UHFFFAOYSA-N
XLogP2.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The IUPAC name of 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea (CID 18337515) is 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The canonical SMILES for 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea is CNC(=O)NC1CCN(C(=O)Cc2ccncc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The InChIKey is ZJOKBHGZOCYKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-19-18(24)21-15-8-11-22(16-5-3-2-4-14(15)16)17(23)12-13-6-9-20-10-7-13/h2-7,9-10,15H,8,11-12H2,1H3,(H2,19,21,24).
What are the key properties of 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea has a molecular weight of 324.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(2-pyridin-4-ylacetyl)-3,4-dihydro-2H-quinolin-4-yl]urea is sourced from PubChem (CID 18337515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).