2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C23H22BrF3N4O — CID 166719436

IUPAC2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCC1CCCC1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H22BrF3N4O/c1-13-3-2-4-20(13)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,2-4,12H2,1H3,(H2,28,30)
InChIKeyWDLUIMIJXHVQSG-UHFFFAOYSA-N
MW507.35 g/mol
LogP5.82
Rot. Bonds4

About 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 166719436) has the molecular formula C23H22BrF3N4O and a molecular weight of 507.35 g/mol. Its IUPAC name is 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
PubChem CID166719436
Molecular FormulaC23H22BrF3N4O
Molecular Weight507.35 g/mol
Exact Mass506.09
IUPAC Name2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
SMILESCC1CCCC1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1
InChIInChI=1S/C23H22BrF3N4O/c1-13-3-2-4-20(13)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,2-4,12H2,1H3,(H2,28,30)
InChIKeyWDLUIMIJXHVQSG-UHFFFAOYSA-N
XLogP5.82
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.35
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide with MolForge

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Related Compounds

2-amino-3-bromo-N-(2-methylpentan-3-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830981
2-amino-N-[(1R,2R)-4,4-difluoro-2-hydroxycyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830684
2-amino-N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830326
2-amino-3-methyl-N-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830050
2-amino-N-[(3S,4S)-4-methoxyoxan-3-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156831050
(3S)-4-amino-N-[(1R,2S)-2-cyanocyclopentyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383448
2-amino-3-methyl-N-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830402
4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
2-amino-3-methyl-N-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830781
(3S)-4-amino-N-[(1R,2S)-2-aminocyclopropyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163382856
2-amino-3-methyl-N-[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830169
2-amino-N-[(8R)-4-methoxy-5,6,7,8-tetrahydroquinolin-8-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830564

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The IUPAC name of 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 166719436) is 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is CC1CCCC1N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1ccc2nc(N)c(Br)cc2c1.
What is the InChIKey of 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
The InChIKey is WDLUIMIJXHVQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF3N4O/c1-13-3-2-4-20(13)31(12-17-7-6-16(11-29-17)23(25,26)27)22(32)14-5-8-19-15(9-14)10-18(24)21(28)30-19/h5-11,13,20H,2-4,12H2,1H3,(H2,28,30).
What are the key properties of 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?
2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 507.35 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-N-(2-methylcyclopentyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 166719436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).