6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)

C68H60ClF9N16O6 — CID 158975943

IUPAC6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
SMILESCNC(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/2C23H20F3N5O2.C13H10ClF3N4O.C9H10N2O/c2*1-27-22(33)21-18(3-2-8-28-21)31-19-11-20(29-12-17(19)23(24,25)26)30-15-6-4-14-10-16(32)7-5-13(14)9-15;1-18-12(22)11-8(3-2-4-19-11)21-9-5-10(14)20-6-7(9)13(15,16)17;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2*2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,27,33)(H2,29,30,31);2-6H,1H3,(H,18,22)(H,20,21);2-3,5H,1,4,10H2,(H,11,12)
InChIKeyJOJWSPMRWUDNMK-UHFFFAOYSA-N
MW1403.77 g/mol
LogP13.21
Rot. Bonds13

About 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)

6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) (PubChem CID 158975943) has the molecular formula C68H60ClF9N16O6 and a molecular weight of 1403.77 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide).

Molecular Properties

Compound Name6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
PubChem CID158975943
Molecular FormulaC68H60ClF9N16O6
Molecular Weight1403.77 g/mol
Exact Mass1402.44
IUPAC Name6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)
SMILESCNC(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/2C23H20F3N5O2.C13H10ClF3N4O.C9H10N2O/c2*1-27-22(33)21-18(3-2-8-28-21)31-19-11-20(29-12-17(19)23(24,25)26)30-15-6-4-14-10-16(32)7-5-13(14)9-15;1-18-12(22)11-8(3-2-4-19-11)21-9-5-10(14)20-6-7(9)13(15,16)17;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2*2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,27,33)(H2,29,30,31);2-6H,1H3,(H,18,22)(H,20,21);2-3,5H,1,4,10H2,(H,11,12)
InChIKeyJOJWSPMRWUDNMK-UHFFFAOYSA-N
XLogP13.21
TPSA314.05 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001403.77
LogP ≤ 513.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)?
The IUPAC name of 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) (CID 158975943) is 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide).
What is the SMILES notation for 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)?
The canonical SMILES for 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) is CNC(=O)c1ncccc1Nc1cc(Cl)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.CNC(=O)c1ncccc1Nc1cc(Nc2ccc3c(c2)CCC(=O)C3)ncc1C(F)(F)F.Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)?
The InChIKey is JOJWSPMRWUDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20F3N5O2.C13H10ClF3N4O.C9H10N2O/c2*1-27-22(33)21-18(3-2-8-28-21)31-19-11-20(29-12-17(19)23(24,25)26)30-15-6-4-14-10-16(32)7-5-13(14)9-15;1-18-12(22)11-8(3-2-4-19-11)21-9-5-10(14)20-6-7(9)13(15,16)17;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h2*2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,27,33)(H2,29,30,31);2-6H,1H3,(H,18,22)(H,20,21);2-3,5H,1,4,10H2,(H,11,12).
What are the key properties of 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide)?
6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) has a molecular weight of 1403.77 g/mol, XLogP of 13.21, 13 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-1H-quinolin-2-one;3-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylpyridine-2-carboxamide;bis(N-methyl-3-[[2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]pyridine-2-carboxamide) is sourced from PubChem (CID 158975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).