CID 88968554

C16H10BNO — CID 88968554

IUPAC—
SMILES[B]c1ccccc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C16H10BNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10H
InChIKeyPEBFHLHEYWVCRQ-UHFFFAOYSA-N
MW243.07 g/mol
LogP2.26
Rot. Bonds2

About CID 88968554

CID 88968554 (PubChem CID 88968554) has the molecular formula C16H10BNO and a molecular weight of 243.07 g/mol.

Molecular Properties

Compound NameCID 88968554
PubChem CID88968554
Molecular FormulaC16H10BNO
Molecular Weight243.07 g/mol
Exact Mass243.09
IUPAC Name—
SMILES[B]c1ccccc1C(=O)c1cnc2ccccc2c1
InChIInChI=1S/C16H10BNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10H
InChIKeyPEBFHLHEYWVCRQ-UHFFFAOYSA-N
XLogP2.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-bromofuran-3-yl)-quinolin-3-ylmethanone
CID 106856565
(2-methylfuran-3-yl)-quinolin-3-ylmethanone
CID 104789375
quinoline-3-carboxylate
CID 4608508
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
quinoline-3-carboxamide;hydrofluoride
CID 174911514
(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
CID 112735750
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
1-quinolin-3-ylprop-2-en-1-one
CID 103453657
(3,5-dichloro-2-pyridinyl)-quinolin-3-ylmethanone
CID 79787017

Frequently Asked Questions

What is the IUPAC name of CID 88968554?
The IUPAC name of CID 88968554 (CID 88968554) is not available.
What is the SMILES notation for CID 88968554?
The canonical SMILES for CID 88968554 is [B]c1ccccc1C(=O)c1cnc2ccccc2c1.
What is the InChIKey of CID 88968554?
The InChIKey is PEBFHLHEYWVCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BNO/c17-14-7-3-2-6-13(14)16(19)12-9-11-5-1-4-8-15(11)18-10-12/h1-10H.
What are the key properties of CID 88968554?
CID 88968554 has a molecular weight of 243.07 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88968554 is sourced from PubChem (CID 88968554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).