CID 89227163

C15H12BN3O — CID 89227163

IUPAC—
SMILES[B]c1ccc2ncnc(Nc3cc(O)ccc3C)c2c1
InChIInChI=1S/C15H12BN3O/c1-9-2-4-11(20)7-14(9)19-15-12-6-10(16)3-5-13(12)17-8-18-15/h2-8,20H,1H3,(H,17,18,19)
InChIKeyILARFQSXSQBJDY-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.18
Rot. Bonds2

About CID 89227163

CID 89227163 (PubChem CID 89227163) has the molecular formula C15H12BN3O and a molecular weight of 261.09 g/mol.

Molecular Properties

Compound NameCID 89227163
PubChem CID89227163
Molecular FormulaC15H12BN3O
Molecular Weight261.09 g/mol
Exact Mass261.11
IUPAC Name—
SMILES[B]c1ccc2ncnc(Nc3cc(O)ccc3C)c2c1
InChIInChI=1S/C15H12BN3O/c1-9-2-4-11(20)7-14(9)19-15-12-6-10(16)3-5-13(12)17-8-18-15/h2-8,20H,1H3,(H,17,18,19)
InChIKeyILARFQSXSQBJDY-UHFFFAOYSA-N
XLogP2.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-anilinoquinazolin-6-ol;ethane
CID 91520479
4-(2-methanidylanilino)quinazolin-6-ol;yttrium
CID 59465164
4-methyl-3-(quinazolin-4-ylamino)benzoic acid
CID 110434771
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
4-methyl-2-(quinazolin-4-ylamino)phenol
CID 725411
N-(2,4-dimethylphenyl)quinazolin-4-amine
CID 2806519
4-(4-bromo-2-fluoroanilino)quinazolin-7-ol
CID 136619749
6-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 5328827
2-methyl-5-(quinazolin-4-ylamino)benzoic acid
CID 63652827
2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451

Frequently Asked Questions

What is the IUPAC name of CID 89227163?
The IUPAC name of CID 89227163 (CID 89227163) is not available.
What is the SMILES notation for CID 89227163?
The canonical SMILES for CID 89227163 is [B]c1ccc2ncnc(Nc3cc(O)ccc3C)c2c1.
What is the InChIKey of CID 89227163?
The InChIKey is ILARFQSXSQBJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BN3O/c1-9-2-4-11(20)7-14(9)19-15-12-6-10(16)3-5-13(12)17-8-18-15/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of CID 89227163?
CID 89227163 has a molecular weight of 261.09 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89227163 is sourced from PubChem (CID 89227163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).