1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

C21H30N4O2 — CID 92715399

IUPAC1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCC[C@H]1CCCCN1CCCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C21H30N4O2/c1-3-16-7-4-5-11-25(16)12-6-10-22-21(27)24-19-14-23-18-9-8-15(2)13-17(18)20(19)26/h8-9,13-14,16H,3-7,10-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t16-/m0/s1
InChIKeyMUWIRVSEYOMSID-INIZCTEOSA-N
MW370.50 g/mol
LogP3.61
Rot. Bonds6

About 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea

1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (PubChem CID 92715399) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.

Molecular Properties

Compound Name1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
PubChem CID92715399
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea
SMILESCC[C@H]1CCCCN1CCCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C21H30N4O2/c1-3-16-7-4-5-11-25(16)12-6-10-22-21(27)24-19-14-23-18-9-8-15(2)13-17(18)20(19)26/h8-9,13-14,16H,3-7,10-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t16-/m0/s1
InChIKeyMUWIRVSEYOMSID-INIZCTEOSA-N
XLogP3.61
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The IUPAC name of 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea (CID 92715399) is 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea.
What is the SMILES notation for 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The canonical SMILES for 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is CC[C@H]1CCCCN1CCCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
The InChIKey is MUWIRVSEYOMSID-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-3-16-7-4-5-11-25(16)12-6-10-22-21(27)24-19-14-23-18-9-8-15(2)13-17(18)20(19)26/h8-9,13-14,16H,3-7,10-12H2,1-2H3,(H,23,26)(H2,22,24,27)/t16-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea?
1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea has a molecular weight of 370.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-3-(6-methyl-4-oxo-1H-quinolin-3-yl)urea is sourced from PubChem (CID 92715399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).