N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide

C19H20N4O — CID 46992793

IUPACN,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccncn3)cc2c1
InChIInChI=1S/C19H20N4O/c1-12-5-6-18-15(9-12)10-16(13(2)22-18)19(24)23(4)14(3)17-7-8-20-11-21-17/h5-11,14H,1-4H3
InChIKeyQZNHABVAOPJQFK-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.47
Rot. Bonds3

About N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide

N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide (PubChem CID 46992793) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
PubChem CID46992793
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccncn3)cc2c1
InChIInChI=1S/C19H20N4O/c1-12-5-6-18-15(9-12)10-16(13(2)22-18)19(24)23(4)14(3)17-7-8-20-11-21-17/h5-11,14H,1-4H3
InChIKeyQZNHABVAOPJQFK-UHFFFAOYSA-N
XLogP3.47
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide (CID 46992793) is N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)N(C)C(C)c3ccncn3)cc2c1.
What is the InChIKey of N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide?
The InChIKey is QZNHABVAOPJQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-5-6-18-15(9-12)10-16(13(2)22-18)19(24)23(4)14(3)17-7-8-20-11-21-17/h5-11,14H,1-4H3.
What are the key properties of N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide?
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 46992793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).