6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C67H64Cl2N14O2 — CID 123165655

IUPAC6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(CN6CCN(c7ccc(Nc8ncc9cc(-c%10ccccc%10Cl)c(=O)n(C%10Cc%11ccccc%11N(C)C%10)c9n8)cc7)CC6)cc5Cl)c(=O)n(C5CNc6ccccc6C5)c4n3)cc2)CC1
InChIInChI=1S/C67H64Cl2N14O2/c1-77-25-29-80(30-26-77)50-20-16-48(17-21-50)73-66-71-38-46-37-57(64(84)82(62(46)75-66)52-34-44-9-3-7-13-60(44)70-40-52)55-24-15-43(33-59(55)69)41-79-27-31-81(32-28-79)51-22-18-49(19-23-51)74-67-72-39-47-36-56(54-11-5-6-12-58(54)68)65(85)83(63(47)76-67)53-35-45-10-4-8-14-61(45)78(2)42-53/h3-24,33,36-39,52-53,70H,25-32,34-35,40-42H2,1-2H3,(H,71,73,75)(H,72,74,76)
InChIKeySNZIDTDDJQKGCI-UHFFFAOYSA-N
MW1168.25 g/mol
LogP11.54
Rot. Bonds12

About 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123165655) has the molecular formula C67H64Cl2N14O2 and a molecular weight of 1168.25 g/mol. Its IUPAC name is 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID123165655
Molecular FormulaC67H64Cl2N14O2
Molecular Weight1168.25 g/mol
Exact Mass1166.47
IUPAC Name6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(CN6CCN(c7ccc(Nc8ncc9cc(-c%10ccccc%10Cl)c(=O)n(C%10Cc%11ccccc%11N(C)C%10)c9n8)cc7)CC6)cc5Cl)c(=O)n(C5CNc6ccccc6C5)c4n3)cc2)CC1
InChIInChI=1S/C67H64Cl2N14O2/c1-77-25-29-80(30-26-77)50-20-16-48(17-21-50)73-66-71-38-46-37-57(64(84)82(62(46)75-66)52-34-44-9-3-7-13-60(44)70-40-52)55-24-15-43(33-59(55)69)41-79-27-31-81(32-28-79)51-22-18-49(19-23-51)74-67-72-39-47-36-56(54-11-5-6-12-58(54)68)65(85)83(63(47)76-67)53-35-45-10-4-8-14-61(45)78(2)42-53/h3-24,33,36-39,52-53,70H,25-32,34-35,40-42H2,1-2H3,(H,71,73,75)(H,72,74,76)
InChIKeySNZIDTDDJQKGCI-UHFFFAOYSA-N
XLogP11.54
TPSA147.85 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001168.25
LogP ≤ 511.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557891
Frax486
CID 68060125
8-[(Trans-4-Aminocyclohexyl)methyl]-6-[2-Chloro-4-(6-Methylpyrazin-2-Yl)phenyl]-2-(Ethylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 90466181
N-(trans-4-(3-(2-Chlorophenyl)-7-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)cyclohexyl)propionamide
CID 137628688
6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327914
6-(2,4-Dichlorophenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 124201740
6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-2-(ethylamino)-8-(piperidin-4-ylmethyl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 90467636
8-[(4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 90468049
8-[(4-Aminocyclohexyl)methyl]-6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 117833406
N-[4-[6-(2-chlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide
CID 137436777
6-(2-chlorophenyl)-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-8-[(3R)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
CID 137436936
3-(2-chlorophenyl)-1-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 137657580

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 123165655) is 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(CN6CCN(c7ccc(Nc8ncc9cc(-c%10ccccc%10Cl)c(=O)n(C%10Cc%11ccccc%11N(C)C%10)c9n8)cc7)CC6)cc5Cl)c(=O)n(C5CNc6ccccc6C5)c4n3)cc2)CC1.
What is the InChIKey of 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SNZIDTDDJQKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H64Cl2N14O2/c1-77-25-29-80(30-26-77)50-20-16-48(17-21-50)73-66-71-38-46-37-57(64(84)82(62(46)75-66)52-34-44-9-3-7-13-60(44)70-40-52)55-24-15-43(33-59(55)69)41-79-27-31-81(32-28-79)51-22-18-49(19-23-51)74-67-72-39-47-36-56(54-11-5-6-12-58(54)68)65(85)83(63(47)76-67)53-35-45-10-4-8-14-61(45)78(2)42-53/h3-24,33,36-39,52-53,70H,25-32,34-35,40-42H2,1-2H3,(H,71,73,75)(H,72,74,76).
What are the key properties of 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?
6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1168.25 g/mol, XLogP of 11.54, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[[4-[4-[[6-(2-chlorophenyl)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]methyl]phenyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123165655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).