[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol

C18H21N5O — CID 154748932

IUPAC[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol
SMILESCn1ccc(N2CCC(Nc3nc4ccccc4cc3CO)C2)n1
InChIInChI=1S/C18H21N5O/c1-22-8-7-17(21-22)23-9-6-15(11-23)19-18-14(12-24)10-13-4-2-3-5-16(13)20-18/h2-5,7-8,10,15,24H,6,9,11-12H2,1H3,(H,19,20)
InChIKeyLFZZDCYCNNOWQA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.15
Rot. Bonds4

About [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol

[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol (PubChem CID 154748932) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol
PubChem CID154748932
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol
SMILESCn1ccc(N2CCC(Nc3nc4ccccc4cc3CO)C2)n1
InChIInChI=1S/C18H21N5O/c1-22-8-7-17(21-22)23-9-6-15(11-23)19-18-14(12-24)10-13-4-2-3-5-16(13)20-18/h2-5,7-8,10,15,24H,6,9,11-12H2,1H3,(H,19,20)
InChIKeyLFZZDCYCNNOWQA-UHFFFAOYSA-N
XLogP2.15
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol?
The IUPAC name of [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol (CID 154748932) is [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol is Cn1ccc(N2CCC(Nc3nc4ccccc4cc3CO)C2)n1.
What is the InChIKey of [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol?
The InChIKey is LFZZDCYCNNOWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-8-7-17(21-22)23-9-6-15(11-23)19-18-14(12-24)10-13-4-2-3-5-16(13)20-18/h2-5,7-8,10,15,24H,6,9,11-12H2,1H3,(H,19,20).
What are the key properties of [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol?
[2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol has a molecular weight of 323.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(1-methylpyrazol-3-yl)pyrrolidin-3-yl]amino]quinolin-3-yl]methanol is sourced from PubChem (CID 154748932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).