CID 144586053

C14H10B4N4O3 — CID 144586053

IUPAC—
SMILES[B]c1cc2nc(C)n(C3CC([B])([B])C(=O)NC3=O)c(=O)c2c(N)c1[B]
InChIInChI=1S/C14H10B4N4O3/c1-4-20-6-2-5(15)9(16)10(19)8(6)12(24)22(4)7-3-14(17,18)13(25)21-11(7)23/h2,7H,3,19H2,1H3,(H,21,23,25)
InChIKeyCBQJSMRSSHJJPZ-UHFFFAOYSA-N
MW325.51 g/mol
LogP-3.08
Rot. Bonds1

About CID 144586053

CID 144586053 (PubChem CID 144586053) has the molecular formula C14H10B4N4O3 and a molecular weight of 325.51 g/mol.

Molecular Properties

Compound NameCID 144586053
PubChem CID144586053
Molecular FormulaC14H10B4N4O3
Molecular Weight325.51 g/mol
Exact Mass326.11
IUPAC Name—
SMILES[B]c1cc2nc(C)n(C3CC([B])([B])C(=O)NC3=O)c(=O)c2c(N)c1[B]
InChIInChI=1S/C14H10B4N4O3/c1-4-20-6-2-5(15)9(16)10(19)8(6)12(24)22(4)7-3-14(17,18)13(25)21-11(7)23/h2,7H,3,19H2,1H3,(H,21,23,25)
InChIKeyCBQJSMRSSHJJPZ-UHFFFAOYSA-N
XLogP-3.08
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.51
LogP ≤ 5-3.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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4(3H)-Quinazolinone, 2-((4-methyl-1-piperazinyl)methyl)-
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3-(5-Amino-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)piperidine-2,6-dione
CID 137628679
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-methylquinazolin-4-one
CID 153574202
2-[1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]butyl]-3-ethylquinazolin-4-one
CID 153574348
Glutarimide, 2-(3,4-dihydro-2-methyl-4-oxo-3-quinazolinyl)-
CID 63824
4(1H)-Quinazolinone, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 135402732
2-(1-Piperazin-1-ylpropyl)-3-propylquinazolin-4-one
CID 4573226
1-(4-Hydroxy-quinazolin-2-ylmethyl)-piperidine-4-carboxylic acid amide
CID 135421165
1-[(4-Hydroxyquinazolin-2-yl)methyl]-4-piperidylpiperidine-4-carboxamide
CID 135448868
2-[(2-methylpiperidino)methyl]-4(3H)-quinazolinone
CID 135465312

Frequently Asked Questions

What is the IUPAC name of CID 144586053?
The IUPAC name of CID 144586053 (CID 144586053) is not available.
What is the SMILES notation for CID 144586053?
The canonical SMILES for CID 144586053 is [B]c1cc2nc(C)n(C3CC([B])([B])C(=O)NC3=O)c(=O)c2c(N)c1[B].
What is the InChIKey of CID 144586053?
The InChIKey is CBQJSMRSSHJJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10B4N4O3/c1-4-20-6-2-5(15)9(16)10(19)8(6)12(24)22(4)7-3-14(17,18)13(25)21-11(7)23/h2,7H,3,19H2,1H3,(H,21,23,25).
What are the key properties of CID 144586053?
CID 144586053 has a molecular weight of 325.51 g/mol, XLogP of -3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144586053 is sourced from PubChem (CID 144586053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).