4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one

C135H124Cl10N14O3P2 — CID 163948298

IUPAC4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)NC1CCN(c2cc(Nc3ccc(Cl)cc3)nc3ccccc23)CC1.CC(C)(C)NC1CCNCC1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Clc1cc(Cl)c2ccccc2n1.Clc1cc(Cl)c2ccccc2n1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Nc1ccc(Cl)cc1.O=c1cc(O)c2ccccc2[nH]1
InChIInChI=1S/C39H32OP2.C24H29ClN4.2C15H10Cl2N2.2C9H5Cl2N.C9H20N2.C9H7NO2.C6H6ClN/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-24(2,3)28-19-12-14-29(15-13-19)22-16-23(26-18-10-8-17(25)9-11-18)27-21-7-5-4-6-20(21)22;2*16-10-5-7-11(8-6-10)18-15-9-13(17)12-3-1-2-4-14(12)19-15;2*10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-9(2,3)11-8-4-6-10-7-5-8;11-8-5-9(12)10-7-4-2-1-3-6(7)8;7-5-1-3-6(8)4-2-5/h3-28H,1-2H3;4-11,16,19,28H,12-15H2,1-3H3,(H,26,27);2*1-9H,(H,18,19);2*1-5H;8,10-11H,4-7H2,1-3H3;1-5H,(H2,10,11,12);1-4H,8H2
InChIKeyRXBWYQRNDZQJTN-UHFFFAOYSA-N
MW2407.05 g/mol
LogP35.56
Rot. Bonds15

About 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one

4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one (PubChem CID 163948298) has the molecular formula C135H124Cl10N14O3P2 and a molecular weight of 2407.05 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one
PubChem CID163948298
Molecular FormulaC135H124Cl10N14O3P2
Molecular Weight2407.05 g/mol
Exact Mass2400.63
IUPAC Name4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one
SMILESCC(C)(C)NC1CCN(c2cc(Nc3ccc(Cl)cc3)nc3ccccc23)CC1.CC(C)(C)NC1CCNCC1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Clc1cc(Cl)c2ccccc2n1.Clc1cc(Cl)c2ccccc2n1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Nc1ccc(Cl)cc1.O=c1cc(O)c2ccccc2[nH]1
InChIInChI=1S/C39H32OP2.C24H29ClN4.2C15H10Cl2N2.2C9H5Cl2N.C9H20N2.C9H7NO2.C6H6ClN/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-24(2,3)28-19-12-14-29(15-13-19)22-16-23(26-18-10-8-17(25)9-11-18)27-21-7-5-4-6-20(21)22;2*16-10-5-7-11(8-6-10)18-15-9-13(17)12-3-1-2-4-14(12)19-15;2*10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-9(2,3)11-8-4-6-10-7-5-8;11-8-5-9(12)10-7-4-2-1-3-6(7)8;7-5-1-3-6(8)4-2-5/h3-28H,1-2H3;4-11,16,19,28H,12-15H2,1-3H3,(H,26,27);2*1-9H,(H,18,19);2*1-5H;8,10-11H,4-7H2,1-3H3;1-5H,(H2,10,11,12);1-4H,8H2
InChIKeyRXBWYQRNDZQJTN-UHFFFAOYSA-N
XLogP35.56
TPSA228.21 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002407.05
LogP ≤ 535.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one with MolForge

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Related Compounds

N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-4-chlorobenzamide;N-tert-butylpiperidin-4-amine;4-chloro-N-(4-chloroquinolin-2-yl)benzamide
CID 159328751
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]quinolin-2-amine;hydrochloride
CID 121305179
N-tert-butyl-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-4-amine
CID 86273574
4-[[[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]amino]methyl]phenol
CID 158845027
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
CID 146441023
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
CID 146441064
1-[(3S)-3-[(4-chloroquinolin-2-yl)amino]pyrrolidin-1-yl]-2-(2-phenylphenyl)ethanone;2-(2-phenylphenyl)-1-[(3S)-3-[(4-piperazin-1-ylquinolin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 158858548
4-[4-(tert-butylamino)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]-7-fluoro-8-methylquinolin-2-amine
CID 162001444
2-N-(3,5-dichlorophenyl)-4-N-piperidin-4-ylquinazoline-2,4-diamine
CID 134109487
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinoline-3-carbonitrile;ethane
CID 145396540
6-chloro-2-N-piperidin-4-ylpyridine-2,4-diamine
CID 115035891
4-chloro-N-cyclohexylquinolin-2-amine;N,2,2-trimethylpropanamide
CID 144970640

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one (CID 163948298) is 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one is CC(C)(C)NC1CCN(c2cc(Nc3ccc(Cl)cc3)nc3ccccc23)CC1.CC(C)(C)NC1CCNCC1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Clc1cc(Cl)c2ccccc2n1.Clc1cc(Cl)c2ccccc2n1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Clc1ccc(Nc2cc(Cl)c3ccccc3n2)cc1.Nc1ccc(Cl)cc1.O=c1cc(O)c2ccccc2[nH]1.
What is the InChIKey of 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one?
The InChIKey is RXBWYQRNDZQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32OP2.C24H29ClN4.2C15H10Cl2N2.2C9H5Cl2N.C9H20N2.C9H7NO2.C6H6ClN/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-24(2,3)28-19-12-14-29(15-13-19)22-16-23(26-18-10-8-17(25)9-11-18)27-21-7-5-4-6-20(21)22;2*16-10-5-7-11(8-6-10)18-15-9-13(17)12-3-1-2-4-14(12)19-15;2*10-7-5-9(11)12-8-4-2-1-3-6(7)8;1-9(2,3)11-8-4-6-10-7-5-8;11-8-5-9(12)10-7-4-2-1-3-6(7)8;7-5-1-3-6(8)4-2-5/h3-28H,1-2H3;4-11,16,19,28H,12-15H2,1-3H3,(H,26,27);2*1-9H,(H,18,19);2*1-5H;8,10-11H,4-7H2,1-3H3;1-5H,(H2,10,11,12);1-4H,8H2.
What are the key properties of 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one?
4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one has a molecular weight of 2407.05 g/mol, XLogP of 35.56, 15 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylamino)piperidin-1-yl]-N-(4-chlorophenyl)quinolin-2-amine;N-tert-butylpiperidin-4-amine;4-chloroaniline;bis(4-chloro-N-(4-chlorophenyl)quinolin-2-amine);bis(2,4-dichloroquinoline);(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane;4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 163948298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).