2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline

C19H18N6 — CID 146091237

IUPAC2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline
SMILESc1ccc2nc(N3CCN(c4ncnc5[nH]ccc45)CC3)ccc2c1
InChIInChI=1S/C19H18N6/c1-2-4-16-14(3-1)5-6-17(23-16)24-9-11-25(12-10-24)19-15-7-8-20-18(15)21-13-22-19/h1-8,13H,9-12H2,(H,20,21,22)
InChIKeyOGHPWCUBADRGEP-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.83
Rot. Bonds2

About 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline

2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline (PubChem CID 146091237) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline
PubChem CID146091237
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline
SMILESc1ccc2nc(N3CCN(c4ncnc5[nH]ccc45)CC3)ccc2c1
InChIInChI=1S/C19H18N6/c1-2-4-16-14(3-1)5-6-17(23-16)24-9-11-25(12-10-24)19-15-7-8-20-18(15)21-13-22-19/h1-8,13H,9-12H2,(H,20,21,22)
InChIKeyOGHPWCUBADRGEP-UHFFFAOYSA-N
XLogP2.83
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-amine
CID 155942634
4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 171323909
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 136523184
4-(1H-benzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 24988321
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
4-(4-methylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110873280
4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 59279308
4-[4-(2-phenoxyethyl)piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 70772825
1-methyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-one
CID 146089042
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
4-(4-cyclopropylsulfonylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 155974317
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid
CID 172616633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline?
The IUPAC name of 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline (CID 146091237) is 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline is c1ccc2nc(N3CCN(c4ncnc5[nH]ccc45)CC3)ccc2c1.
What is the InChIKey of 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline?
The InChIKey is OGHPWCUBADRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-2-4-16-14(3-1)5-6-17(23-16)24-9-11-25(12-10-24)19-15-7-8-20-18(15)21-13-22-19/h1-8,13H,9-12H2,(H,20,21,22).
What are the key properties of 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline?
2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline has a molecular weight of 330.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 146091237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).