tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine

C98H130N26O2 — CID 162215665

IUPACtert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine
SMILESCCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)c1cccc2cccnc12.Cc1nc(CN(CCCCN)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(CCCCNC(=O)OC(C)(C)C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(c2cccc3cccnc23)C2CC2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C29H41N7O2.C24H33N7.C23H28N6.C22H28N6/c1-22-32-24(20-26(33-22)35-18-16-34(5)17-19-35)21-36(15-7-6-13-31-28(37)38-29(2,3)4)25-12-8-10-23-11-9-14-30-27(23)25;1-19-27-21(17-23(28-19)30-15-13-29(2)14-16-30)18-31(12-4-3-10-25)22-9-5-7-20-8-6-11-26-24(20)22;1-17-25-19(15-22(26-17)28-13-11-27(2)12-14-28)16-29(20-8-9-20)21-7-3-5-18-6-4-10-24-23(18)21;1-4-27(20-9-5-7-18-8-6-10-23-22(18)20)16-19-15-21(25-17(2)24-19)28-13-11-26(3)12-14-28/h8-12,14,20H,6-7,13,15-19,21H2,1-5H3,(H,31,37);5-9,11,17H,3-4,10,12-16,18,25H2,1-2H3;3-7,10,15,20H,8-9,11-14,16H2,1-2H3;5-10,15H,4,11-14,16H2,1-3H3
InChIKeyZTKVCJLBFHTGFW-UHFFFAOYSA-N
MW1704.30 g/mol
LogP13.59
Rot. Bonds27

About tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine

tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine (PubChem CID 162215665) has the molecular formula C98H130N26O2 and a molecular weight of 1704.30 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine.

Molecular Properties

Compound Nametert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine
PubChem CID162215665
Molecular FormulaC98H130N26O2
Molecular Weight1704.30 g/mol
Exact Mass1703.09
IUPAC Nametert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine
SMILESCCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)c1cccc2cccnc12.Cc1nc(CN(CCCCN)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(CCCCNC(=O)OC(C)(C)C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(c2cccc3cccnc23)C2CC2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C29H41N7O2.C24H33N7.C23H28N6.C22H28N6/c1-22-32-24(20-26(33-22)35-18-16-34(5)17-19-35)21-36(15-7-6-13-31-28(37)38-29(2,3)4)25-12-8-10-23-11-9-14-30-27(23)25;1-19-27-21(17-23(28-19)30-15-13-29(2)14-16-30)18-31(12-4-3-10-25)22-9-5-7-20-8-6-11-26-24(20)22;1-17-25-19(15-22(26-17)28-13-11-27(2)12-14-28)16-29(20-8-9-20)21-7-3-5-18-6-4-10-24-23(18)21;1-4-27(20-9-5-7-18-8-6-10-23-22(18)20)16-19-15-21(25-17(2)24-19)28-13-11-26(3)12-14-28/h8-12,14,20H,6-7,13,15-19,21H2,1-5H3,(H,31,37);5-9,11,17H,3-4,10,12-16,18,25H2,1-2H3;3-7,10,15,20H,8-9,11-14,16H2,1-2H3;5-10,15H,4,11-14,16H2,1-3H3
InChIKeyZTKVCJLBFHTGFW-UHFFFAOYSA-N
XLogP13.59
TPSA257.91 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.30
LogP ≤ 513.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine?
The IUPAC name of tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine (CID 162215665) is tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine.
What is the SMILES notation for tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine?
The canonical SMILES for tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine is CCN(Cc1cc(N2CCN(C)CC2)nc(C)n1)c1cccc2cccnc12.Cc1nc(CN(CCCCN)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(CCCCNC(=O)OC(C)(C)C)c2cccc3cccnc23)cc(N2CCN(C)CC2)n1.Cc1nc(CN(c2cccc3cccnc23)C2CC2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine?
The InChIKey is ZTKVCJLBFHTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O2.C24H33N7.C23H28N6.C22H28N6/c1-22-32-24(20-26(33-22)35-18-16-34(5)17-19-35)21-36(15-7-6-13-31-28(37)38-29(2,3)4)25-12-8-10-23-11-9-14-30-27(23)25;1-19-27-21(17-23(28-19)30-15-13-29(2)14-16-30)18-31(12-4-3-10-25)22-9-5-7-20-8-6-11-26-24(20)22;1-17-25-19(15-22(26-17)28-13-11-27(2)12-14-28)16-29(20-8-9-20)21-7-3-5-18-6-4-10-24-23(18)21;1-4-27(20-9-5-7-18-8-6-10-23-22(18)20)16-19-15-21(25-17(2)24-19)28-13-11-26(3)12-14-28/h8-12,14,20H,6-7,13,15-19,21H2,1-5H3,(H,31,37);5-9,11,17H,3-4,10,12-16,18,25H2,1-2H3;3-7,10,15,20H,8-9,11-14,16H2,1-2H3;5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine?
tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine has a molecular weight of 1704.30 g/mol, XLogP of 13.59, 27 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-quinolin-8-ylamino]butyl]carbamate;N-cyclopropyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N-ethyl-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]quinolin-8-amine;N'-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-N'-quinolin-8-ylbutane-1,4-diamine is sourced from PubChem (CID 162215665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).