sodium (2-phenylquinoline-4-carbonyl)azanide

C16H11N2NaO — CID 140991412

IUPACsodium (2-phenylquinoline-4-carbonyl)azanide
SMILES[NH-]C(=O)c1cc(-c2ccccc2)nc2ccccc12.[Na+]
InChIInChI=1S/C16H12N2O.Na/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;/h1-10H,(H2,17,19);/q;+1/p-1
InChIKeyGYTBFLBGACUESN-UHFFFAOYSA-M
MW270.27 g/mol
LogP1.10
Rot. Bonds2

About sodium (2-phenylquinoline-4-carbonyl)azanide

sodium (2-phenylquinoline-4-carbonyl)azanide (PubChem CID 140991412) has the molecular formula C16H11N2NaO and a molecular weight of 270.27 g/mol. Its IUPAC name is sodium (2-phenylquinoline-4-carbonyl)azanide.

Molecular Properties

Compound Namesodium (2-phenylquinoline-4-carbonyl)azanide
PubChem CID140991412
Molecular FormulaC16H11N2NaO
Molecular Weight270.27 g/mol
Exact Mass270.08
IUPAC Namesodium (2-phenylquinoline-4-carbonyl)azanide
SMILES[NH-]C(=O)c1cc(-c2ccccc2)nc2ccccc12.[Na+]
InChIInChI=1S/C16H12N2O.Na/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;/h1-10H,(H2,17,19);/q;+1/p-1
InChIKeyGYTBFLBGACUESN-UHFFFAOYSA-M
XLogP1.10
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812

Frequently Asked Questions

What is the IUPAC name of sodium (2-phenylquinoline-4-carbonyl)azanide?
The IUPAC name of sodium (2-phenylquinoline-4-carbonyl)azanide (CID 140991412) is sodium (2-phenylquinoline-4-carbonyl)azanide.
What is the SMILES notation for sodium (2-phenylquinoline-4-carbonyl)azanide?
The canonical SMILES for sodium (2-phenylquinoline-4-carbonyl)azanide is [NH-]C(=O)c1cc(-c2ccccc2)nc2ccccc12.[Na+].
What is the InChIKey of sodium (2-phenylquinoline-4-carbonyl)azanide?
The InChIKey is GYTBFLBGACUESN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H12N2O.Na/c17-16(19)13-10-15(11-6-2-1-3-7-11)18-14-9-5-4-8-12(13)14;/h1-10H,(H2,17,19);/q;+1/p-1.
What are the key properties of sodium (2-phenylquinoline-4-carbonyl)azanide?
sodium (2-phenylquinoline-4-carbonyl)azanide has a molecular weight of 270.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-phenylquinoline-4-carbonyl)azanide is sourced from PubChem (CID 140991412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).