N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide

C18H20N6O — CID 71853945

IUPACN-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide
SMILESCN(CCn1cnnc1)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C18H20N6O/c1-23(8-9-24-11-19-20-12-24)17-10-15(18(25)21-13-6-7-13)14-4-2-3-5-16(14)22-17/h2-5,10-13H,6-9H2,1H3,(H,21,25)
InChIKeyZMUZZOGJYWLYDG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.85
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide

N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide (PubChem CID 71853945) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide
PubChem CID71853945
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide
SMILESCN(CCn1cnnc1)c1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C18H20N6O/c1-23(8-9-24-11-19-20-12-24)17-10-15(18(25)21-13-6-7-13)14-4-2-3-5-16(14)22-17/h2-5,10-13H,6-9H2,1H3,(H,21,25)
InChIKeyZMUZZOGJYWLYDG-UHFFFAOYSA-N
XLogP1.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide (CID 71853945) is N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide is CN(CCn1cnnc1)c1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The InChIKey is ZMUZZOGJYWLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-23(8-9-24-11-19-20-12-24)17-10-15(18(25)21-13-6-7-13)14-4-2-3-5-16(14)22-17/h2-5,10-13H,6-9H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide is sourced from PubChem (CID 71853945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).