sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid

C14H11N2NaO4 — CID 173433782

IUPACsodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1.[H-].[Na+]
InChIInChI=1S/C14H10N2O4.Na.H/c1-20-9-3-4-11-10(6-9)13(17)16-7-8(14(18)19)2-5-12(16)15-11;;/h2-7H,1H3,(H,18,19);;/q;+1;-1
InChIKeyZQTUKSVEVNLFLM-UHFFFAOYSA-N
MW294.24 g/mol
LogP-1.33
Rot. Bonds2

About sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid

sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 173433782) has the molecular formula C14H11N2NaO4 and a molecular weight of 294.24 g/mol. Its IUPAC name is sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
PubChem CID173433782
Molecular FormulaC14H11N2NaO4
Molecular Weight294.24 g/mol
Exact Mass294.06
IUPAC Namesodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1.[H-].[Na+]
InChIInChI=1S/C14H10N2O4.Na.H/c1-20-9-3-4-11-10(6-9)13(17)16-7-8(14(18)19)2-5-12(16)15-11;;/h2-7H,1H3,(H,18,19);;/q;+1;-1
InChIKeyZQTUKSVEVNLFLM-UHFFFAOYSA-N
XLogP-1.33
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
CID 13052288
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 70549091
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435022
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 44783251
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
2-(diethylamino)ethyl 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carboxylate;hydrochloride
CID 13052296
3-methyl-4-oxo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531151

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (CID 173433782) is sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is COc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is ZQTUKSVEVNLFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4.Na.H/c1-20-9-3-4-11-10(6-9)13(17)16-7-8(14(18)19)2-5-12(16)15-11;;/h2-7H,1H3,(H,18,19);;/q;+1;-1.
What are the key properties of sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid has a molecular weight of 294.24 g/mol, XLogP of -1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 173433782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).