N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride

C110H122ClFN32O10 — CID 158517265

IUPACN-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(-c3cnc4ccccc4c3)n2)c(OC)cc1N1CCC(N(C)C)CC1.CN(C)C1CCNCC1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c(N)cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C29H32N8O2.C26H28N8O3.C26H30N8O.C19H13FN6O3.C7H16N2.C3H3ClO/c1-5-27(38)33-23-15-24(26(39-4)16-25(23)37-12-10-21(11-13-37)36(2)3)34-29-32-18-31-28(35-29)20-14-19-8-6-7-9-22(19)30-17-20;1-32(2)19-8-10-33(11-9-19)22-14-24(37-3)21(13-23(22)34(35)36)30-26-29-16-28-25(31-26)18-12-17-6-4-5-7-20(17)27-15-18;1-33(2)19-8-10-34(11-9-19)23-14-24(35-3)22(13-20(23)27)31-26-30-16-29-25(32-26)18-12-17-6-4-5-7-21(17)28-15-18;1-29-17-7-13(20)16(26(27)28)8-15(17)24-19-23-10-22-18(25-19)12-6-11-4-2-3-5-14(11)21-9-12;1-9(2)7-3-5-8-6-4-7;1-2-3(4)5/h5-9,14-18,21H,1,10-13H2,2-4H3,(H,33,38)(H,31,32,34,35);4-7,12-16,19H,8-11H2,1-3H3,(H,28,29,30,31);4-7,12-16,19H,8-11,27H2,1-3H3,(H,29,30,31,32);2-10H,1H3,(H,22,23,24,25);7-8H,3-6H2,1-2H3;2H,1H2
InChIKeyHLTZEDGZEPRDBC-UHFFFAOYSA-N
MW2106.85 g/mol
LogP17.85
Rot. Bonds28

About N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride

N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride (PubChem CID 158517265) has the molecular formula C110H122ClFN32O10 and a molecular weight of 2106.85 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride
PubChem CID158517265
Molecular FormulaC110H122ClFN32O10
Molecular Weight2106.85 g/mol
Exact Mass2104.97
IUPAC NameN-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(-c3cnc4ccccc4c3)n2)c(OC)cc1N1CCC(N(C)C)CC1.CN(C)C1CCNCC1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c(N)cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1
InChIInChI=1S/C29H32N8O2.C26H28N8O3.C26H30N8O.C19H13FN6O3.C7H16N2.C3H3ClO/c1-5-27(38)33-23-15-24(26(39-4)16-25(23)37-12-10-21(11-13-37)36(2)3)34-29-32-18-31-28(35-29)20-14-19-8-6-7-9-22(19)30-17-20;1-32(2)19-8-10-33(11-9-19)22-14-24(37-3)21(13-23(22)34(35)36)30-26-29-16-28-25(31-26)18-12-17-6-4-5-7-20(17)27-15-18;1-33(2)19-8-10-34(11-9-19)23-14-24(35-3)22(13-20(23)27)31-26-30-16-29-25(32-26)18-12-17-6-4-5-7-21(17)28-15-18;1-29-17-7-13(20)16(26(27)28)8-15(17)24-19-23-10-22-18(25-19)12-6-11-4-2-3-5-14(11)21-9-12;1-9(2)7-3-5-8-6-4-7;1-2-3(4)5/h5-9,14-18,21H,1,10-13H2,2-4H3,(H,33,38)(H,31,32,34,35);4-7,12-16,19H,8-11H2,1-3H3,(H,28,29,30,31);4-7,12-16,19H,8-11,27H2,1-3H3,(H,29,30,31,32);2-10H,1H3,(H,22,23,24,25);7-8H,3-6H2,1-2H3;2H,1H2
InChIKeyHLTZEDGZEPRDBC-UHFFFAOYSA-N
XLogP17.85
TPSA484.46 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds28
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002106.85
LogP ≤ 517.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride?
The IUPAC name of N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride (CID 158517265) is N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride.
What is the SMILES notation for N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride?
The canonical SMILES for N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(-c3cnc4ccccc4c3)n2)c(OC)cc1N1CCC(N(C)C)CC1.CN(C)C1CCNCC1.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c(N)cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.COc1cc(N2CCC(N(C)C)CC2)c([N+](=O)[O-])cc1Nc1ncnc(-c2cnc3ccccc3c2)n1.
What is the InChIKey of N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride?
The InChIKey is HLTZEDGZEPRDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2.C26H28N8O3.C26H30N8O.C19H13FN6O3.C7H16N2.C3H3ClO/c1-5-27(38)33-23-15-24(26(39-4)16-25(23)37-12-10-21(11-13-37)36(2)3)34-29-32-18-31-28(35-29)20-14-19-8-6-7-9-22(19)30-17-20;1-32(2)19-8-10-33(11-9-19)22-14-24(37-3)21(13-23(22)34(35)36)30-26-29-16-28-25(31-26)18-12-17-6-4-5-7-20(17)27-15-18;1-33(2)19-8-10-34(11-9-19)23-14-24(35-3)22(13-20(23)27)31-26-30-16-29-25(32-26)18-12-17-6-4-5-7-21(17)28-15-18;1-29-17-7-13(20)16(26(27)28)8-15(17)24-19-23-10-22-18(25-19)12-6-11-4-2-3-5-14(11)21-9-12;1-9(2)7-3-5-8-6-4-7;1-2-3(4)5/h5-9,14-18,21H,1,10-13H2,2-4H3,(H,33,38)(H,31,32,34,35);4-7,12-16,19H,8-11H2,1-3H3,(H,28,29,30,31);4-7,12-16,19H,8-11,27H2,1-3H3,(H,29,30,31,32);2-10H,1H3,(H,22,23,24,25);7-8H,3-6H2,1-2H3;2H,1H2.
What are the key properties of N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride?
N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride has a molecular weight of 2106.85 g/mol, XLogP of 17.85, 28 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-nitrophenyl]-4-quinolin-3-yl-1,3,5-triazin-2-amine;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[(4-quinolin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]prop-2-enamide;4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1-N-(4-quinolin-3-yl-1,3,5-triazin-2-yl)benzene-1,3-diamine;N,N-dimethylpiperidin-4-amine;N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-quinolin-3-yl-1,3,5-triazin-2-amine;prop-2-enoyl chloride is sourced from PubChem (CID 158517265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).