1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea

C16H19N5O2 — CID 74239554

IUPAC1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NC2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-9-11(8-17-21)18-16(23)20-14-7-15(22)19-13-6-4-3-5-12(13)14/h3-6,8-10,14H,7H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyWBAFWPDVWMPCFT-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea

1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 74239554) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID74239554
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NC2CC(=O)Nc3ccccc32)cn1
InChIInChI=1S/C16H19N5O2/c1-10(2)21-9-11(8-17-21)18-16(23)20-14-7-15(22)19-13-6-4-3-5-12(13)14/h3-6,8-10,14H,7H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyWBAFWPDVWMPCFT-UHFFFAOYSA-N
XLogP2.67
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 74239554) is 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NC2CC(=O)Nc3ccccc32)cn1.
What is the InChIKey of 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is WBAFWPDVWMPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)21-9-11(8-17-21)18-16(23)20-14-7-15(22)19-13-6-4-3-5-12(13)14/h3-6,8-10,14H,7H2,1-2H3,(H,19,22)(H2,18,20,23).
What are the key properties of 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 313.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 74239554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).