CID 131876705

C16H12N2NaO3 — CID 131876705

IUPAC—
SMILESCc1nc2ccccc2c(=O)n1-c1ccccc1C(=O)O.[Na]
InChIInChI=1S/C16H12N2O3.Na/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16(20)21;/h2-9H,1H3,(H,20,21);
InChIKeyBHCYMDGQFQFRLT-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.01
Rot. Bonds2

About CID 131876705

CID 131876705 (PubChem CID 131876705) has the molecular formula C16H12N2NaO3 and a molecular weight of 303.27 g/mol.

Molecular Properties

Compound NameCID 131876705
PubChem CID131876705
Molecular FormulaC16H12N2NaO3
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name—
SMILESCc1nc2ccccc2c(=O)n1-c1ccccc1C(=O)O.[Na]
InChIInChI=1S/C16H12N2O3.Na/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16(20)21;/h2-9H,1H3,(H,20,21);
InChIKeyBHCYMDGQFQFRLT-UHFFFAOYSA-N
XLogP2.01
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-formyl-4-oxoquinazolin-3-yl)benzoic acid
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3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
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3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
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2-methyl-3-(2-morpholin-4-ylphenyl)quinazolin-4-one
CID 45258529
2-methyl-3-(2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932661
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
CID 849797
7-hydroxy-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 5377276
2-methyl-3-[2-(1,1,2,2,2-pentadeuterioethyl)phenyl]quinazolin-4-one
CID 71316434
3-(2,4-difluorophenyl)-2-methylquinazolin-4-one
CID 2824755
2-methyl-3-(2-methyl-3-trimethylsilyloxyphenyl)quinazolin-4-one
CID 629564
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
CID 69343372
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930

Frequently Asked Questions

What is the IUPAC name of CID 131876705?
The IUPAC name of CID 131876705 (CID 131876705) is not available.
What is the SMILES notation for CID 131876705?
The canonical SMILES for CID 131876705 is Cc1nc2ccccc2c(=O)n1-c1ccccc1C(=O)O.[Na].
What is the InChIKey of CID 131876705?
The InChIKey is BHCYMDGQFQFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3.Na/c1-10-17-13-8-4-2-6-11(13)15(19)18(10)14-9-5-3-7-12(14)16(20)21;/h2-9H,1H3,(H,20,21);.
What are the key properties of CID 131876705?
CID 131876705 has a molecular weight of 303.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131876705 is sourced from PubChem (CID 131876705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).