4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol

C93H75Cl3F4N18O3 — CID 160565986

IUPAC4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol
SMILESCN(C)CCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1.N#Cc1cncnc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.OCc1cnccc1Nc1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C27H25ClFN5O.C25H23ClFN5O.C21H16FN3O.C20H11ClFN5/c1-34-12-9-18(10-13-34)31-27(35)21-16-30-11-8-24(21)33-25-15-26(20-14-17(28)6-7-22(20)29)32-23-5-3-2-4-19(23)25;1-32(2)12-11-29-25(33)19-15-28-10-9-22(19)31-23-14-24(18-13-16(26)7-8-20(18)27)30-21-6-4-3-5-17(21)23;22-17-7-3-1-5-15(17)20-11-21(16-6-2-4-8-19(16)25-20)24-18-9-10-23-12-14(18)13-26;21-13-5-6-16(22)15(7-13)19-8-18(14-3-1-2-4-17(14)26-19)27-20-12(9-23)10-24-11-25-20/h2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,31,35)(H,30,32,33);3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,28,30,31);1-12,26H,13H2,(H,23,24,25);1-8,10-11H,(H,24,25,26,27)
InChIKeyQZXRPNRVTNIYTN-UHFFFAOYSA-N
MW1675.10 g/mol
LogP20.55
Rot. Bonds19

About 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol

4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol (PubChem CID 160565986) has the molecular formula C93H75Cl3F4N18O3 and a molecular weight of 1675.10 g/mol. Its IUPAC name is 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol
PubChem CID160565986
Molecular FormulaC93H75Cl3F4N18O3
Molecular Weight1675.10 g/mol
Exact Mass1672.53
IUPAC Name4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol
SMILESCN(C)CCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1.N#Cc1cncnc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.OCc1cnccc1Nc1cc(-c2ccccc2F)nc2ccccc12
InChIInChI=1S/C27H25ClFN5O.C25H23ClFN5O.C21H16FN3O.C20H11ClFN5/c1-34-12-9-18(10-13-34)31-27(35)21-16-30-11-8-24(21)33-25-15-26(20-14-17(28)6-7-22(20)29)32-23-5-3-2-4-19(23)25;1-32(2)12-11-29-25(33)19-15-28-10-9-22(19)31-23-14-24(18-13-16(26)7-8-20(18)27)30-21-6-4-3-5-17(21)23;22-17-7-3-1-5-15(17)20-11-21(16-6-2-4-8-19(16)25-20)24-18-9-10-23-12-14(18)13-26;21-13-5-6-16(22)15(7-13)19-8-18(14-3-1-2-4-17(14)26-19)27-20-12(9-23)10-24-11-25-20/h2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,31,35)(H,30,32,33);3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,28,30,31);1-12,26H,13H2,(H,23,24,25);1-8,10-11H,(H,24,25,26,27)
InChIKeyQZXRPNRVTNIYTN-UHFFFAOYSA-N
XLogP20.55
TPSA272.83 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001675.10
LogP ≤ 520.55
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol with MolForge

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Related Compounds

4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine;methyl 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyridine-3-carboxylate
CID 157831341
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 157868186
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-methylpyridine-3-carboxamide;[4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol;2-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)quinolin-4-yl]pyridine-2,4-diamine;2-N-[2-[2-fluoro-5-(trifluoromethyl)phenyl]quinolin-4-yl]-1,3,5-triazine-2,4-diamine
CID 158326638
4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidine-5-carbonitrile;2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(1,3,5-triazin-2-yl)-1,8-naphthyridin-4-amine;N-pyridin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine
CID 160486190
deuterium monohydride;4-(dibenzylamino)-3-(trifluoromethyl)benzonitrile;N,N-dibenzyl-4-(5-chloro-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;N,N-dibenzyl-4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline;methane;2-methylpyridine-3-carboxylic acid;morpholine;4-(5-morpholin-4-yl-1,6-naphthyridin-7-yl)-2-(trifluoromethyl)aniline
CID 161253835
bis(4-aminopyridine-3-carboxamide);tert-butyl N-(3-carbamoyl-4-pyridinyl)carbamate;4-chloro-2-(5-chloro-2-fluorophenyl)pteridine;4-[[2-(5-chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 161302201
(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-2-[5-(hydroxymethyl)-2-pyridinyl]-4-methyl-6-[[1-(pyrimidine-2-carbonyl)azetidin-3-yl]amino]-3H-2,7-naphthyridin-1-one
CID 171608495
2-[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid;[1-[(2,5-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-[4-(2-methylquinolin-4-yl)piperazin-1-yl]methanone
CID 87544002
4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]-N-cyclopropylpyridine-3-carboxamide;bis(4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid);cyclopropanamine;methanol;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 157269846
bis(N-(2-acetamidoethyl)-4-amino-6-(3-fluorophenyl)quinazoline-8-carboxamide);4-amino-6-chloroquinazoline-8-carboxylate;4-amino-6-(3-fluorophenyl)quinazoline-8-carboxylic acid;6-chloro-8-iodoquinazolin-4-amine
CID 157314873
4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-7-[2-(dimethylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 157501739
4-chloro-2-(5-chloro-2-fluorophenyl)-N,N-dimethylpyrimidin-5-amine;2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)-1H-pyrimidin-6-one;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylic acid;methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-(dimethylamino)pyrimidin-4-yl]amino]pyridine-3-carboxylate;methyl 2-(dimethylamino)acetate
CID 158038858

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol?
The IUPAC name of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol (CID 160565986) is 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol?
The canonical SMILES for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol is CN(C)CCNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.CN1CCC(NC(=O)c2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1.N#Cc1cncnc1Nc1cc(-c2cc(Cl)ccc2F)nc2ccccc12.OCc1cnccc1Nc1cc(-c2ccccc2F)nc2ccccc12.
What is the InChIKey of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol?
The InChIKey is QZXRPNRVTNIYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O.C25H23ClFN5O.C21H16FN3O.C20H11ClFN5/c1-34-12-9-18(10-13-34)31-27(35)21-16-30-11-8-24(21)33-25-15-26(20-14-17(28)6-7-22(20)29)32-23-5-3-2-4-19(23)25;1-32(2)12-11-29-25(33)19-15-28-10-9-22(19)31-23-14-24(18-13-16(26)7-8-20(18)27)30-21-6-4-3-5-17(21)23;22-17-7-3-1-5-15(17)20-11-21(16-6-2-4-8-19(16)25-20)24-18-9-10-23-12-14(18)13-26;21-13-5-6-16(22)15(7-13)19-8-18(14-3-1-2-4-17(14)26-19)27-20-12(9-23)10-24-11-25-20/h2-8,11,14-16,18H,9-10,12-13H2,1H3,(H,31,35)(H,30,32,33);3-10,13-15H,11-12H2,1-2H3,(H,29,33)(H,28,30,31);1-12,26H,13H2,(H,23,24,25);1-8,10-11H,(H,24,25,26,27).
What are the key properties of 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol?
4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol has a molecular weight of 1675.10 g/mol, XLogP of 20.55, 19 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide;4-[[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]amino]pyrimidine-5-carbonitrile;[4-[[2-(2-fluorophenyl)quinolin-4-yl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 160565986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).