1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea

C17H21N5O2 — CID 121499795

IUPAC1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
SMILESCc1nccn1CCN(C)C(=O)NC1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H21N5O2/c1-12-18-7-8-22(12)10-9-21(2)17(24)20-15-11-16(23)19-14-6-4-3-5-13(14)15/h3-8,15H,9-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyDAVRUCNDCNVSLR-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea

1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea (PubChem CID 121499795) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
PubChem CID121499795
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea
SMILESCc1nccn1CCN(C)C(=O)NC1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H21N5O2/c1-12-18-7-8-22(12)10-9-21(2)17(24)20-15-11-16(23)19-14-6-4-3-5-13(14)15/h3-8,15H,9-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyDAVRUCNDCNVSLR-UHFFFAOYSA-N
XLogP1.92
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea?
The IUPAC name of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea (CID 121499795) is 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea.
What is the SMILES notation for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea?
The canonical SMILES for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea is Cc1nccn1CCN(C)C(=O)NC1CC(=O)Nc2ccccc21.
What is the InChIKey of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea?
The InChIKey is DAVRUCNDCNVSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-18-7-8-22(12)10-9-21(2)17(24)20-15-11-16(23)19-14-6-4-3-5-13(14)15/h3-8,15H,9-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea?
1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)urea is sourced from PubChem (CID 121499795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).