1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea

C18H25N5O2 — CID 131651749

IUPAC1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-13(2)20-18(25)21-15-5-6-16-14(12-15)4-7-17(24)23(16)11-10-22-9-3-8-19-22/h3-4,7-9,13,15H,5-6,10-12H2,1-2H3,(H2,20,21,25)
InChIKeyBDONYXKVSCQJDJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea

1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea (PubChem CID 131651749) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea
PubChem CID131651749
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-13(2)20-18(25)21-15-5-6-16-14(12-15)4-7-17(24)23(16)11-10-22-9-3-8-19-22/h3-4,7-9,13,15H,5-6,10-12H2,1-2H3,(H2,20,21,25)
InChIKeyBDONYXKVSCQJDJ-UHFFFAOYSA-N
XLogP1.31
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea (CID 131651749) is 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCc2c(ccc(=O)n2CCn2cccn2)C1.
What is the InChIKey of 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea?
The InChIKey is BDONYXKVSCQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)20-18(25)21-15-5-6-16-14(12-15)4-7-17(24)23(16)11-10-22-9-3-8-19-22/h3-4,7-9,13,15H,5-6,10-12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea?
1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea has a molecular weight of 343.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-1-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-propan-2-ylurea is sourced from PubChem (CID 131651749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).