4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

C115H90FN19O6 — CID 160963427

IUPAC4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C30H27N5O.C29H21N5O.C28H21FN4O.C28H21N5O3/c1-35(2)26-11-12-28-27(20-26)29(15-18-32-28)33-24-9-5-23(6-10-24)30(36)34-25-7-3-21(4-8-25)19-22-13-16-31-17-14-22;1-30-25-10-11-27-26(19-25)28(14-17-32-27)33-23-8-4-22(5-9-23)29(35)34-24-6-2-20(3-7-24)18-21-12-15-31-16-13-21;29-22-5-10-26-25(18-22)27(13-16-31-26)32-23-8-3-21(4-9-23)28(34)33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20;34-28(32-23-5-1-19(2-6-23)17-20-11-14-29-15-12-20)21-3-7-22(8-4-21)31-27-13-16-30-26-10-9-24(33(35)36)18-25(26)27/h3-18,20H,19H2,1-2H3,(H,32,33)(H,34,36);2-17,19H,18H2,(H,32,33)(H,34,35);1-16,18H,17H2,(H,31,32)(H,33,34);1-16,18H,17H2,(H,30,31)(H,32,34)
InChIKeySXHLTYBTBIKXJJ-UHFFFAOYSA-N
MW1853.11 g/mol
LogP25.53
Rot. Bonds26

About 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (PubChem CID 160963427) has the molecular formula C115H90FN19O6 and a molecular weight of 1853.11 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
PubChem CID160963427
Molecular FormulaC115H90FN19O6
Molecular Weight1853.11 g/mol
Exact Mass1851.73
IUPAC Name4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1
InChIInChI=1S/C30H27N5O.C29H21N5O.C28H21FN4O.C28H21N5O3/c1-35(2)26-11-12-28-27(20-26)29(15-18-32-28)33-24-9-5-23(6-10-24)30(36)34-25-7-3-21(4-8-25)19-22-13-16-31-17-14-22;1-30-25-10-11-27-26(19-25)28(14-17-32-27)33-23-8-4-22(5-9-23)29(35)34-24-6-2-20(3-7-24)18-21-12-15-31-16-13-21;29-22-5-10-26-25(18-22)27(13-16-31-26)32-23-8-3-21(4-9-23)28(34)33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20;34-28(32-23-5-1-19(2-6-23)17-20-11-14-29-15-12-20)21-3-7-22(8-4-21)31-27-13-16-30-26-10-9-24(33(35)36)18-25(26)27/h3-18,20H,19H2,1-2H3,(H,32,33)(H,34,36);2-17,19H,18H2,(H,32,33)(H,34,35);1-16,18H,17H2,(H,31,32)(H,33,34);1-16,18H,17H2,(H,30,31)(H,32,34)
InChIKeySXHLTYBTBIKXJJ-UHFFFAOYSA-N
XLogP25.53
TPSA318.38 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001853.11
LogP ≤ 525.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide with MolForge

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Related Compounds

6-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 158257915
4-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide
CID 67199735
4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 157295084
methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate
CID 157189950
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide chloride
CID 71659966
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
bis(N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-nitroquinolin-4-yl)amino]benzamide) dichloride
CID 86621639
methyl 4-[(6-isocyanoquinolin-4-yl)amino]benzoate
CID 176585499
N-[3-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide;dihydrochloride
CID 86621649
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
4-[(6-fluoroquinolin-4-yl)amino]-N-methyl-N-[3-[methyl(pyridin-4-yl)amino]phenyl]benzamide
CID 170228485

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide (CID 160963427) is 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc([N+](=O)[O-])cc23)cc1.[C-]#[N+]c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.
What is the InChIKey of 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
The InChIKey is SXHLTYBTBIKXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O.C29H21N5O.C28H21FN4O.C28H21N5O3/c1-35(2)26-11-12-28-27(20-26)29(15-18-32-28)33-24-9-5-23(6-10-24)30(36)34-25-7-3-21(4-8-25)19-22-13-16-31-17-14-22;1-30-25-10-11-27-26(19-25)28(14-17-32-27)33-23-8-4-22(5-9-23)29(35)34-24-6-2-20(3-7-24)18-21-12-15-31-16-13-21;29-22-5-10-26-25(18-22)27(13-16-31-26)32-23-8-3-21(4-9-23)28(34)33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20;34-28(32-23-5-1-19(2-6-23)17-20-11-14-29-15-12-20)21-3-7-22(8-4-21)31-27-13-16-30-26-10-9-24(33(35)36)18-25(26)27/h3-18,20H,19H2,1-2H3,(H,32,33)(H,34,36);2-17,19H,18H2,(H,32,33)(H,34,35);1-16,18H,17H2,(H,31,32)(H,33,34);1-16,18H,17H2,(H,30,31)(H,32,34).
What are the key properties of 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide?
4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide has a molecular weight of 1853.11 g/mol, XLogP of 25.53, 26 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-isocyanoquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;4-[(6-nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 160963427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).