2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine

C43H69ClN14O4 — CID 157065363

IUPAC2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1[N+](=O)[O-].CN1CCN(CCNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H33N7O2.C16H20ClN5O2.C6H16N2/c1-24(2)11-14-26(4)21-20(28(29)30)19(17-7-5-6-8-18(17)23-21)22-9-10-27-15-12-25(3)13-16-27;1-20-8-10-21(11-9-20)7-6-18-14-12-4-2-3-5-13(12)19-16(17)15(14)22(23)24;1-7(2)5-6-8(3)4/h5-8H,9-16H2,1-4H3,(H,22,23);2-5H,6-11H2,1H3,(H,18,19);5-6H2,1-4H3
InChIKeyABUVRWTZZOGJPC-UHFFFAOYSA-N
MW881.57 g/mol
LogP4.37
Rot. Bonds17

About 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine

2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine (PubChem CID 157065363) has the molecular formula C43H69ClN14O4 and a molecular weight of 881.57 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
PubChem CID157065363
Molecular FormulaC43H69ClN14O4
Molecular Weight881.57 g/mol
Exact Mass880.53
IUPAC Name2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
SMILESCN(C)CCN(C)C.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1[N+](=O)[O-].CN1CCN(CCNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1
InChIInChI=1S/C21H33N7O2.C16H20ClN5O2.C6H16N2/c1-24(2)11-14-26(4)21-20(28(29)30)19(17-7-5-6-8-18(17)23-21)22-9-10-27-15-12-25(3)13-16-27;1-20-8-10-21(11-9-20)7-6-18-14-12-4-2-3-5-13(12)19-16(17)15(14)22(23)24;1-7(2)5-6-8(3)4/h5-8H,9-16H2,1-4H3,(H,22,23);2-5H,6-11H2,1H3,(H,18,19);5-6H2,1-4H3
InChIKeyABUVRWTZZOGJPC-UHFFFAOYSA-N
XLogP4.37
TPSA162.04 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.57
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-Chloro-6-nitro-2-(piperazin-1-YL)quinoline
CID 10334554
6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(4-nitrophenyl)ethyl]quinazolin-4-amine
CID 45379921
7-chloro-N-[2-[4-(3-nitro-2-pyridyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52942606
7-chloro-N-[3-[4-(3-nitro-2-pyridyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 52945055
6-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 162661709
2-N,2-N-dibenzyl-4-N-(2-methylpropyl)-3-nitroquinoline-2,4-diamine
CID 57010460
5,7-difluoro-2-(4-methylpiperazin-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine
CID 89493379
2,4-Dipiperidino-10-chloropyrimido[5,4-b]quinoline
CID 129789393
CID 139068631
CID 139068631
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 22537692
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylquinolin-5-yl)-5-nitropyrimidine-4,6-diamine
CID 22537907
N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine
CID 22538480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The IUPAC name of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine (CID 157065363) is 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine.
What is the SMILES notation for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The canonical SMILES for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine is CN(C)CCN(C)C.CN(C)CCN(C)c1nc2ccccc2c(NCCN2CCN(C)CC2)c1[N+](=O)[O-].CN1CCN(CCNc2c([N+](=O)[O-])c(Cl)nc3ccccc23)CC1.
What is the InChIKey of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
The InChIKey is ABUVRWTZZOGJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O2.C16H20ClN5O2.C6H16N2/c1-24(2)11-14-26(4)21-20(28(29)30)19(17-7-5-6-8-18(17)23-21)22-9-10-27-15-12-25(3)13-16-27;1-20-8-10-21(11-9-20)7-6-18-14-12-4-2-3-5-13(12)19-16(17)15(14)22(23)24;1-7(2)5-6-8(3)4/h5-8H,9-16H2,1-4H3,(H,22,23);2-5H,6-11H2,1H3,(H,18,19);5-6H2,1-4H3.
What are the key properties of 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine?
2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine has a molecular weight of 881.57 g/mol, XLogP of 4.37, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinolin-4-amine;2-N-[2-(dimethylamino)ethyl]-2-N-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitroquinoline-2,4-diamine;N,N,N',N'-tetramethylethane-1,2-diamine is sourced from PubChem (CID 157065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).