[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone

C22H20N6O — CID 122341955

IUPAC[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C22H20N6O/c29-22(19-8-7-17-5-1-2-6-18(17)25-19)28-13-11-27(12-14-28)21-15-20(23-16-24-21)26-9-3-4-10-26/h1-10,15-16H,11-14H2
InChIKeyBIQRZAXAOPGOIW-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.78
Rot. Bonds3

About [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone

[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 122341955) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID122341955
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCN(c2cc(-n3cccc3)ncn2)CC1
InChIInChI=1S/C22H20N6O/c29-22(19-8-7-17-5-1-2-6-18(17)25-19)28-13-11-27(12-14-28)21-15-20(23-16-24-21)26-9-3-4-10-26/h1-10,15-16H,11-14H2
InChIKeyBIQRZAXAOPGOIW-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
(2-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342183
(4-bromophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342182
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
(3-iodophenyl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342185
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
cyclopropyl-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 71800031

Frequently Asked Questions

What is the IUPAC name of [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone (CID 122341955) is [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCN(c2cc(-n3cccc3)ncn2)CC1.
What is the InChIKey of [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is BIQRZAXAOPGOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(19-8-7-17-5-1-2-6-18(17)25-19)28-13-11-27(12-14-28)21-15-20(23-16-24-21)26-9-3-4-10-26/h1-10,15-16H,11-14H2.
What are the key properties of [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone?
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 384.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 122341955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).