4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid

C19H16N6O2 — CID 175793867

IUPAC4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESN#Cc1cc(-c2cnc3ccccc3c2)nc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C19H16N6O2/c20-11-15-10-17(14-9-13-3-1-2-4-16(13)21-12-14)23-18(22-15)24-5-7-25(8-6-24)19(26)27/h1-4,9-10,12H,5-8H2,(H,26,27)
InChIKeyLJHGLKQXCYHSQP-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.36
Rot. Bonds2

About 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid

4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid (PubChem CID 175793867) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid
PubChem CID175793867
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid
SMILESN#Cc1cc(-c2cnc3ccccc3c2)nc(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C19H16N6O2/c20-11-15-10-17(14-9-13-3-1-2-4-16(13)21-12-14)23-18(22-15)24-5-7-25(8-6-24)19(26)27/h1-4,9-10,12H,5-8H2,(H,26,27)
InChIKeyLJHGLKQXCYHSQP-UHFFFAOYSA-N
XLogP2.36
TPSA106.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
6-quinolin-3-ylpyridine-2-carbonitrile
CID 56714756
3-[6-(furan-2-yl)-2-piperazin-1-ylpyrimidin-4-yl]quinoline
CID 171729518
2-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110613117
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080
5-[3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-yl]pyridine-2-carbonitrile
CID 126567204
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
4-[4-(2-methoxyacetyl)piperazin-1-yl]quinoline-2-carbonitrile
CID 133317978
6-(4-methylphenyl)-2-morpholin-4-ylpyrimidine-4-carbonitrile
CID 39380254
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid (CID 175793867) is 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid is N#Cc1cc(-c2cnc3ccccc3c2)nc(N2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid?
The InChIKey is LJHGLKQXCYHSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c20-11-15-10-17(14-9-13-3-1-2-4-16(13)21-12-14)23-18(22-15)24-5-7-25(8-6-24)19(26)27/h1-4,9-10,12H,5-8H2,(H,26,27).
What are the key properties of 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid?
4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid has a molecular weight of 360.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-6-quinolin-3-ylpyrimidin-2-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175793867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).