N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide

C22H22F3N5O — CID 156547225

IUPACN-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCNc1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N5O/c1-3-27-19-7-4-12(10-29-19)14-8-15-18(9-17(14)22(23,24)25)28-11-16(20(15)26-2)21(31)30-13-5-6-13/h4,7-11,13H,3,5-6H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyLKUIYQXCBWRBNQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.68
Rot. Bonds6

About N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide

N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 156547225) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID156547225
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC NameN-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCNc1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C(F)(F)F)cn1
InChIInChI=1S/C22H22F3N5O/c1-3-27-19-7-4-12(10-29-19)14-8-15-18(9-17(14)22(23,24)25)28-11-16(20(15)26-2)21(31)30-13-5-6-13/h4,7-11,13H,3,5-6H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyLKUIYQXCBWRBNQ-UHFFFAOYSA-N
XLogP4.68
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide (CID 156547225) is N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide is CCNc1ccc(-c2cc3c(NC)c(C(=O)NC4CC4)cnc3cc2C(F)(F)F)cn1.
What is the InChIKey of N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is LKUIYQXCBWRBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c1-3-27-19-7-4-12(10-29-19)14-8-15-18(9-17(14)22(23,24)25)28-11-16(20(15)26-2)21(31)30-13-5-6-13/h4,7-11,13H,3,5-6H2,1-2H3,(H,26,28)(H,27,29)(H,30,31).
What are the key properties of N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide?
N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[6-(ethylamino)-3-pyridinyl]-4-(methylamino)-7-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 156547225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).