CID 156870601

C14H8BN3O — CID 156870601

IUPAC—
SMILES[B]c1ccc2[nH]c3nc4ccccc4c(=O)n3c2c1
InChIInChI=1S/C14H8BN3O/c15-8-5-6-11-12(7-8)18-13(19)9-3-1-2-4-10(9)16-14(18)17-11/h1-7H,(H,16,17)
InChIKeyVNZFQDJPHLVZCA-UHFFFAOYSA-N
MW245.05 g/mol
LogP1.12
Rot. Bonds

About CID 156870601

CID 156870601 (PubChem CID 156870601) has the molecular formula C14H8BN3O and a molecular weight of 245.05 g/mol.

Molecular Properties

Compound NameCID 156870601
PubChem CID156870601
Molecular FormulaC14H8BN3O
Molecular Weight245.05 g/mol
Exact Mass245.08
IUPAC Name—
SMILES[B]c1ccc2[nH]c3nc4ccccc4c(=O)n3c2c1
InChIInChI=1S/C14H8BN3O/c15-8-5-6-11-12(7-8)18-13(19)9-3-1-2-4-10(9)16-14(18)17-11/h1-7H,(H,16,17)
InChIKeyVNZFQDJPHLVZCA-UHFFFAOYSA-N
XLogP1.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 156870601 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489217
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493945
4-methyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489164
2,9-diiodo-6H-benzimidazolo[1,2-a]benzimidazole
CID 118695696
5-methylquinolino[2,1-b]quinazolin-12-one
CID 14666352
(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493950
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
CID 56694885
4-(difluoromethyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135633323
4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 135616216
3-bromoquinazolino[3,2-f]phenanthridin-14-one
CID 164913573
1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,11(15)-pentaen-16-one
CID 614507

Frequently Asked Questions

What is the IUPAC name of CID 156870601?
The IUPAC name of CID 156870601 (CID 156870601) is not available.
What is the SMILES notation for CID 156870601?
The canonical SMILES for CID 156870601 is [B]c1ccc2[nH]c3nc4ccccc4c(=O)n3c2c1.
What is the InChIKey of CID 156870601?
The InChIKey is VNZFQDJPHLVZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BN3O/c15-8-5-6-11-12(7-8)18-13(19)9-3-1-2-4-10(9)16-14(18)17-11/h1-7H,(H,16,17).
What are the key properties of CID 156870601?
CID 156870601 has a molecular weight of 245.05 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156870601 is sourced from PubChem (CID 156870601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).