N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

C14H14F3N3O — CID 62179851

IUPACN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c1-18-12-7-10(9-5-3-4-6-11(9)19-12)13(21)20(2)8-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyVBXNVMJXNGKKPE-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.91
Rot. Bonds3

About N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide

N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (PubChem CID 62179851) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
PubChem CID62179851
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)CC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c1-18-12-7-10(9-5-3-4-6-11(9)19-12)13(21)20(2)8-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyVBXNVMJXNGKKPE-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387
N-[(1,1-dioxothiolan-3-yl)methyl]-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 166218813
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62169240
2-(ethylamino)-N-(2-methoxyethyl)-N-methylquinoline-4-carboxamide
CID 62178126
1-chloro-N-methyl-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106765986
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
2-(methylamino)quinoline-4-carbothioamide
CID 63886082

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide (CID 62179851) is N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is CNc1cc(C(=O)N(C)CC(F)(F)F)c2ccccc2n1.
What is the InChIKey of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
The InChIKey is VBXNVMJXNGKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-18-12-7-10(9-5-3-4-6-11(9)19-12)13(21)20(2)8-14(15,16)17/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide?
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide is sourced from PubChem (CID 62179851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).