N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide

C21H26N4O — CID 46999362

IUPACN,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc12
InChIInChI=1S/C21H26N4O/c1-13(2)24(6)21(26)18-10-19(16-11-22-25(12-16)14(3)4)23-20-15(5)8-7-9-17(18)20/h7-14H,1-6H3
InChIKeyJHWAVUZFLLKCFX-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.47
Rot. Bonds4

About N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide

N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 46999362) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID46999362
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc12
InChIInChI=1S/C21H26N4O/c1-13(2)24(6)21(26)18-10-19(16-11-22-25(12-16)14(3)4)23-20-15(5)8-7-9-17(18)20/h7-14H,1-6H3
InChIKeyJHWAVUZFLLKCFX-UHFFFAOYSA-N
XLogP4.47
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide (CID 46999362) is N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide is Cc1cccc2c(C(=O)N(C)C(C)C)cc(-c3cnn(C(C)C)c3)nc12.
What is the InChIKey of N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is JHWAVUZFLLKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-13(2)24(6)21(26)18-10-19(16-11-22-25(12-16)14(3)4)23-20-15(5)8-7-9-17(18)20/h7-14H,1-6H3.
What are the key properties of N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide?
N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46999362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).