CID 162524598

C14H18BFN2O — CID 162524598

IUPAC—
SMILES[B]Cc1ccc2nc(C(C)CCC)c(=O)[nH]c2c1F.[H][H]
InChIInChI=1S/C14H16BFN2O.H2/c1-3-4-8(2)12-14(19)18-13-10(17-12)6-5-9(7-15)11(13)16;/h5-6,8H,3-4,7H2,1-2H3,(H,18,19);1H
InChIKeyPIPXIAPOUTXYHS-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.88
Rot. Bonds4

About CID 162524598

CID 162524598 (PubChem CID 162524598) has the molecular formula C14H18BFN2O and a molecular weight of 260.12 g/mol.

Molecular Properties

Compound NameCID 162524598
PubChem CID162524598
Molecular FormulaC14H18BFN2O
Molecular Weight260.12 g/mol
Exact Mass260.15
IUPAC Name—
SMILES[B]Cc1ccc2nc(C(C)CCC)c(=O)[nH]c2c1F.[H][H]
InChIInChI=1S/C14H16BFN2O.H2/c1-3-4-8(2)12-14(19)18-13-10(17-12)6-5-9(7-15)11(13)16;/h5-6,8H,3-4,7H2,1-2H3,(H,18,19);1H
InChIKeyPIPXIAPOUTXYHS-UHFFFAOYSA-N
XLogP2.88
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one
CID 162524420
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
CID 168984402
7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
CID 168856762
5-chloro-6-[2-(5-chloro-3-oxo-4H-quinoxalin-2-yl)propyl]-3-propan-2-yl-1H-quinoxalin-2-one
CID 134186020
6-[[1-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]azetidin-3-ylidene]methyl]-N-methylpyridazine-3-carboxamide
CID 178063348
2,4-diamino-5-pentan-2-yl-1H-pyrimidin-6-one
CID 135491160
5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 178131889
5,8-diethyl-1,4-dihydroquinoxaline-2,3-dione
CID 118870848
7-[[(3E)-3-[(2,3-difluoro-4-methylphenyl)methylidene]pyrrolidin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one;N-methylformamide
CID 178063377
2-methyl-6-pentan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 176552982
7-(bromomethyl)-8-fluoro-3-methyl-1H-1,5-naphthyridin-2-one
CID 178132037
8-fluoro-3-methyl-7-[[4-[6-(1-methyltriazol-4-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-quinoxalin-2-one
CID 175951266

Frequently Asked Questions

What is the IUPAC name of CID 162524598?
The IUPAC name of CID 162524598 (CID 162524598) is not available.
What is the SMILES notation for CID 162524598?
The canonical SMILES for CID 162524598 is [B]Cc1ccc2nc(C(C)CCC)c(=O)[nH]c2c1F.[H][H].
What is the InChIKey of CID 162524598?
The InChIKey is PIPXIAPOUTXYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BFN2O.H2/c1-3-4-8(2)12-14(19)18-13-10(17-12)6-5-9(7-15)11(13)16;/h5-6,8H,3-4,7H2,1-2H3,(H,18,19);1H.
What are the key properties of CID 162524598?
CID 162524598 has a molecular weight of 260.12 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162524598 is sourced from PubChem (CID 162524598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).