N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine

C120H134Cl4N22O4 — CID 159980806

IUPACN-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC(N(Cc4ccccc4)Cc4ccccc4)CC3)ccnc2c1.Clc1ccc2c(NCCCN3CCC(N(Cc4ccncc4)Cc4ccncc4)CC3)ccnc2c1.Nc1ccc(CN(Cc2ccc(N)cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1.O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C31H35ClN4.C30H31ClN6O4.C30H35ClN6.C29H33ClN6/c32-27-12-13-29-30(14-18-34-31(29)22-27)33-17-7-19-35-20-15-28(16-21-35)36(23-25-8-3-1-4-9-25)24-26-10-5-2-6-11-26;31-24-5-10-28-29(11-14-32-30(28)19-24)33-15-18-34-16-12-25(13-17-34)35(20-22-1-6-26(7-2-22)36(38)39)21-23-3-8-27(9-4-23)37(40)41;31-24-5-10-28-29(11-14-34-30(28)19-24)35-15-18-36-16-12-27(13-17-36)37(20-22-1-6-25(32)7-2-22)21-23-3-8-26(33)9-4-23;30-25-2-3-27-28(8-16-34-29(27)20-25)33-11-1-17-35-18-9-26(10-19-35)36(21-23-4-12-31-13-5-23)22-24-6-14-32-15-7-24/h1-6,8-14,18,22,28H,7,15-17,19-21,23-24H2,(H,33,34);1-11,14,19,25H,12-13,15-18,20-21H2,(H,32,33);1-11,14,19,27H,12-13,15-18,20-21,32-33H2,(H,34,35);2-8,12-16,20,26H,1,9-11,17-19,21-22H2,(H,33,34)
InChIKeyOFSZUWUMMWSNCF-UHFFFAOYSA-N
MW2090.35 g/mol
LogP24.42
Rot. Bonds40

About N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine

N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine (PubChem CID 159980806) has the molecular formula C120H134Cl4N22O4 and a molecular weight of 2090.35 g/mol. Its IUPAC name is N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine
PubChem CID159980806
Molecular FormulaC120H134Cl4N22O4
Molecular Weight2090.35 g/mol
Exact Mass2086.97
IUPAC NameN-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine
SMILESClc1ccc2c(NCCCN3CCC(N(Cc4ccccc4)Cc4ccccc4)CC3)ccnc2c1.Clc1ccc2c(NCCCN3CCC(N(Cc4ccncc4)Cc4ccncc4)CC3)ccnc2c1.Nc1ccc(CN(Cc2ccc(N)cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1.O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1
InChIInChI=1S/C31H35ClN4.C30H31ClN6O4.C30H35ClN6.C29H33ClN6/c32-27-12-13-29-30(14-18-34-31(29)22-27)33-17-7-19-35-20-15-28(16-21-35)36(23-25-8-3-1-4-9-25)24-26-10-5-2-6-11-26;31-24-5-10-28-29(11-14-32-30(28)19-24)33-15-18-34-16-12-25(13-17-34)35(20-22-1-6-26(7-2-22)36(38)39)21-23-3-8-27(9-4-23)37(40)41;31-24-5-10-28-29(11-14-34-30(28)19-24)35-15-18-36-16-12-27(13-17-36)37(20-22-1-6-25(32)7-2-22)21-23-3-8-26(33)9-4-23;30-25-2-3-27-28(8-16-34-29(27)20-25)33-11-1-17-35-18-9-26(10-19-35)36(21-23-4-12-31-13-5-23)22-24-6-14-32-15-7-24/h1-6,8-14,18,22,28H,7,15-17,19-21,23-24H2,(H,33,34);1-11,14,19,25H,12-13,15-18,20-21H2,(H,32,33);1-11,14,19,27H,12-13,15-18,20-21,32-33H2,(H,34,35);2-8,12-16,20,26H,1,9-11,17-19,21-22H2,(H,33,34)
InChIKeyOFSZUWUMMWSNCF-UHFFFAOYSA-N
XLogP24.42
TPSA289.70 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002090.35
LogP ≤ 524.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine?
The IUPAC name of N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine (CID 159980806) is N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine is Clc1ccc2c(NCCCN3CCC(N(Cc4ccccc4)Cc4ccccc4)CC3)ccnc2c1.Clc1ccc2c(NCCCN3CCC(N(Cc4ccncc4)Cc4ccncc4)CC3)ccnc2c1.Nc1ccc(CN(Cc2ccc(N)cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1.O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)cc1.
What is the InChIKey of N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine?
The InChIKey is OFSZUWUMMWSNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN4.C30H31ClN6O4.C30H35ClN6.C29H33ClN6/c32-27-12-13-29-30(14-18-34-31(29)22-27)33-17-7-19-35-20-15-28(16-21-35)36(23-25-8-3-1-4-9-25)24-26-10-5-2-6-11-26;31-24-5-10-28-29(11-14-32-30(28)19-24)33-15-18-34-16-12-25(13-17-34)35(20-22-1-6-26(7-2-22)36(38)39)21-23-3-8-27(9-4-23)37(40)41;31-24-5-10-28-29(11-14-34-30(28)19-24)35-15-18-36-16-12-27(13-17-36)37(20-22-1-6-25(32)7-2-22)21-23-3-8-26(33)9-4-23;30-25-2-3-27-28(8-16-34-29(27)20-25)33-11-1-17-35-18-9-26(10-19-35)36(21-23-4-12-31-13-5-23)22-24-6-14-32-15-7-24/h1-6,8-14,18,22,28H,7,15-17,19-21,23-24H2,(H,33,34);1-11,14,19,25H,12-13,15-18,20-21H2,(H,32,33);1-11,14,19,27H,12-13,15-18,20-21,32-33H2,(H,34,35);2-8,12-16,20,26H,1,9-11,17-19,21-22H2,(H,33,34).
What are the key properties of N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine?
N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine has a molecular weight of 2090.35 g/mol, XLogP of 24.42, 40 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[bis[(4-aminophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;7-chloro-N-[3-[4-(dibenzylamino)piperidin-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 159980806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).