6-quinolin-6-yloxypyrimidine-4-carboxylic acid

C14H9N3O3 — CID 116820273

IUPAC6-quinolin-6-yloxypyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C14H9N3O3/c18-14(19)12-7-13(17-8-16-12)20-10-3-4-11-9(6-10)2-1-5-15-11/h1-8H,(H,18,19)
InChIKeyMFNTUTIKSAZTIW-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.52
Rot. Bonds3

About 6-quinolin-6-yloxypyrimidine-4-carboxylic acid

6-quinolin-6-yloxypyrimidine-4-carboxylic acid (PubChem CID 116820273) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 6-quinolin-6-yloxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-quinolin-6-yloxypyrimidine-4-carboxylic acid
PubChem CID116820273
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name6-quinolin-6-yloxypyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C14H9N3O3/c18-14(19)12-7-13(17-8-16-12)20-10-3-4-11-9(6-10)2-1-5-15-11/h1-8H,(H,18,19)
InChIKeyMFNTUTIKSAZTIW-UHFFFAOYSA-N
XLogP2.52
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-quinolin-6-yloxypyridin-2-amine
CID 45139860
6-(4-chloro-3-methylphenoxy)pyrimidine-4-carboxylic acid
CID 116820276
6-quinolin-6-yloxypyridine-2-carbonitrile
CID 133392287
3-amino-4-quinolin-6-yloxybutanoic acid
CID 82130669
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
6-phosphorosooxyquinoline
CID 21130862
quinolin-6-yl formate
CID 57289431
ethane;quinoline-6-carboxylic acid
CID 91364452
6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline
CID 11327850
(Z)-[amino-(6-quinolin-6-ylpyrimidin-4-yl)methylidene]carbamic acid
CID 144519007
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-6-yloxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-quinolin-6-yloxypyrimidine-4-carboxylic acid (CID 116820273) is 6-quinolin-6-yloxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-quinolin-6-yloxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-quinolin-6-yloxypyrimidine-4-carboxylic acid is O=C(O)c1cc(Oc2ccc3ncccc3c2)ncn1.
What is the InChIKey of 6-quinolin-6-yloxypyrimidine-4-carboxylic acid?
The InChIKey is MFNTUTIKSAZTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14(19)12-7-13(17-8-16-12)20-10-3-4-11-9(6-10)2-1-5-15-11/h1-8H,(H,18,19).
What are the key properties of 6-quinolin-6-yloxypyrimidine-4-carboxylic acid?
6-quinolin-6-yloxypyrimidine-4-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-6-yloxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 116820273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).