N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C22H27N5O — CID 46999144

IUPACN,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)N(C)C3CCN(C)CC3)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C22H27N5O/c1-15-6-5-7-18-19(22(28)27(4)17-8-10-25(2)11-9-17)12-20(24-21(15)18)16-13-23-26(3)14-16/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyQKRFRSZUFXNYKZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.11
Rot. Bonds3

About N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46999144) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46999144
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)N(C)C3CCN(C)CC3)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C22H27N5O/c1-15-6-5-7-18-19(22(28)27(4)17-8-10-25(2)11-9-17)12-20(24-21(15)18)16-13-23-26(3)14-16/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyQKRFRSZUFXNYKZ-UHFFFAOYSA-N
XLogP3.11
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 46999144) is N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cc1cccc2c(C(=O)N(C)C3CCN(C)CC3)cc(-c3cnn(C)c3)nc12.
What is the InChIKey of N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is QKRFRSZUFXNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-6-5-7-18-19(22(28)27(4)17-8-10-25(2)11-9-17)12-20(24-21(15)18)16-13-23-26(3)14-16/h5-7,12-14,17H,8-11H2,1-4H3.
What are the key properties of N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46999144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).