4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate

C52H51F9N8O6 — CID 160691519

IUPAC4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate
SMILESCCC(=O)CNC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.CCOC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Nc1cc(C(=O)NCC2(O)CC2)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/2C18H18F3N3O2.C16H15F3N2O2/c19-18(20,21)12-6-10(9-1-2-9)5-11-13(22)7-14(24-15(11)12)16(25)23-8-17(26)3-4-17;1-2-11(25)8-23-17(26)15-7-14(22)12-5-10(9-3-4-9)6-13(16(12)24-15)18(19,20)21;1-2-23-15(22)13-7-12(20)10-5-9(8-3-4-8)6-11(14(10)21-13)16(17,18)19/h5-7,9,26H,1-4,8H2,(H2,22,24)(H,23,25);5-7,9H,2-4,8H2,1H3,(H2,22,24)(H,23,26);5-8H,2-4H2,1H3,(H2,20,21)
InChIKeyRPLRRFQSDKVYLX-UHFFFAOYSA-N
MW1055.01 g/mol
LogP10.28
Rot. Bonds12

About 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate

4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate (PubChem CID 160691519) has the molecular formula C52H51F9N8O6 and a molecular weight of 1055.01 g/mol. Its IUPAC name is 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate.

Molecular Properties

Compound Name4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate
PubChem CID160691519
Molecular FormulaC52H51F9N8O6
Molecular Weight1055.01 g/mol
Exact Mass1054.38
IUPAC Name4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate
SMILESCCC(=O)CNC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.CCOC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Nc1cc(C(=O)NCC2(O)CC2)nc2c(C(F)(F)F)cc(C3CC3)cc12
InChIInChI=1S/2C18H18F3N3O2.C16H15F3N2O2/c19-18(20,21)12-6-10(9-1-2-9)5-11-13(22)7-14(24-15(11)12)16(25)23-8-17(26)3-4-17;1-2-11(25)8-23-17(26)15-7-14(22)12-5-10(9-3-4-9)6-13(16(12)24-15)18(19,20)21;1-2-23-15(22)13-7-12(20)10-5-9(8-3-4-8)6-11(14(10)21-13)16(17,18)19/h5-7,9,26H,1-4,8H2,(H2,22,24)(H,23,25);5-7,9H,2-4,8H2,1H3,(H2,22,24)(H,23,26);5-8H,2-4H2,1H3,(H2,20,21)
InChIKeyRPLRRFQSDKVYLX-UHFFFAOYSA-N
XLogP10.28
TPSA238.53 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001055.01
LogP ≤ 510.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate with MolForge

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Related Compounds

2-Cyclohexylacetamide;3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-6-(trifluoromethyl)quinoline-4-carboxylic acid
CID 69987261
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate;4-methyl-6-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-(1-methylcyclopropyl)-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 157275795
6-cyclopropyl-N-(cyclopropylmethyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 157919415
6-cyclopropyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-cyclopropyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 158227029
4-amino-N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-8-(trifluoromethyl)quinoline-2-carboxamide;N-[[(1S)-3,3-difluorocyclohexyl]methyl]-6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(difluoromethoxy)-4-[(4-methoxyphenyl)methylamino]-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 158444118
6-(2,2-difluorocyclopropyl)-4-methyl-N-[[(3R)-oxan-3-yl]methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 158809057
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159177443
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872
6-(2,2-difluorocyclopropyl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-(2,2-difluorocyclopropyl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 6-ethenyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160238474
potassium;6-ethenyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethenyl(trifluoro)boranuide;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 160837427
4,6-dimethyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 161042488
ethyl 4,6-dimethyl-8-(trifluoromethyl)quinoline-2-carboxylate;6-isocyano-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-isocyano-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;pyridin-2-ylmethanamine
CID 161586400

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate?
The IUPAC name of 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate (CID 160691519) is 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate.
What is the SMILES notation for 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate?
The canonical SMILES for 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate is CCC(=O)CNC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.CCOC(=O)c1cc(N)c2cc(C3CC3)cc(C(F)(F)F)c2n1.Nc1cc(C(=O)NCC2(O)CC2)nc2c(C(F)(F)F)cc(C3CC3)cc12.
What is the InChIKey of 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate?
The InChIKey is RPLRRFQSDKVYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18F3N3O2.C16H15F3N2O2/c19-18(20,21)12-6-10(9-1-2-9)5-11-13(22)7-14(24-15(11)12)16(25)23-8-17(26)3-4-17;1-2-11(25)8-23-17(26)15-7-14(22)12-5-10(9-3-4-9)6-13(16(12)24-15)18(19,20)21;1-2-23-15(22)13-7-12(20)10-5-9(8-3-4-8)6-11(14(10)21-13)16(17,18)19/h5-7,9,26H,1-4,8H2,(H2,22,24)(H,23,25);5-7,9H,2-4,8H2,1H3,(H2,22,24)(H,23,26);5-8H,2-4H2,1H3,(H2,20,21).
What are the key properties of 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate?
4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate has a molecular weight of 1055.01 g/mol, XLogP of 10.28, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-cyclopropyl-N-[(1-hydroxycyclopropyl)methyl]-8-(trifluoromethyl)quinoline-2-carboxamide;4-amino-6-cyclopropyl-N-(2-oxobutyl)-8-(trifluoromethyl)quinoline-2-carboxamide;ethyl 4-amino-6-cyclopropyl-8-(trifluoromethyl)quinoline-2-carboxylate is sourced from PubChem (CID 160691519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).