[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol

C21H20N4O — CID 170509331

IUPAC[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol
SMILESCc1cccc2cc(CO)c(Nc3cc(-c4ccccc4)nn3C)nc12
InChIInChI=1S/C21H20N4O/c1-14-7-6-10-16-11-17(13-26)21(23-20(14)16)22-19-12-18(24-25(19)2)15-8-4-3-5-9-15/h3-12,26H,13H2,1-2H3,(H,22,23)
InChIKeyQKAKKUIJYDWYKM-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.18
Rot. Bonds4

About [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol

[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol (PubChem CID 170509331) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol
PubChem CID170509331
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol
SMILESCc1cccc2cc(CO)c(Nc3cc(-c4ccccc4)nn3C)nc12
InChIInChI=1S/C21H20N4O/c1-14-7-6-10-16-11-17(13-26)21(23-20(14)16)22-19-12-18(24-25(19)2)15-8-4-3-5-9-15/h3-12,26H,13H2,1-2H3,(H,22,23)
InChIKeyQKAKKUIJYDWYKM-UHFFFAOYSA-N
XLogP4.18
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol?
The IUPAC name of [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol (CID 170509331) is [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol.
What is the SMILES notation for [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol?
The canonical SMILES for [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol is Cc1cccc2cc(CO)c(Nc3cc(-c4ccccc4)nn3C)nc12.
What is the InChIKey of [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol?
The InChIKey is QKAKKUIJYDWYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-7-6-10-16-11-17(13-26)21(23-20(14)16)22-19-12-18(24-25(19)2)15-8-4-3-5-9-15/h3-12,26H,13H2,1-2H3,(H,22,23).
What are the key properties of [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol?
[8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol has a molecular weight of 344.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-[(1-methyl-3-phenylpyrazol-5-yl)amino]quinolin-3-yl]methanol is sourced from PubChem (CID 170509331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).