4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine

C68H77ClN16 — CID 158555940

IUPAC4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCC(C)(C)NC1CCNCC1.Cc1cc(Nc2cc(Cl)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1.Cc1cc(Nc2cc(N3CCC(NC(C)(C)C)CC3)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C34H38N8.C25H19ClN6.C9H20N2/c1-23-20-26(11-12-28(23)39-33-36-17-13-29(40-33)24-8-7-16-35-22-24)37-32-21-31(27-9-5-6-10-30(27)38-32)42-18-14-25(15-19-42)41-34(2,3)4;1-16-13-18(29-24-14-20(26)19-6-2-3-7-23(19)30-24)8-9-21(16)31-25-28-12-10-22(32-25)17-5-4-11-27-15-17;1-9(2,3)11-8-4-6-10-7-5-8/h5-13,16-17,20-22,25,41H,14-15,18-19H2,1-4H3,(H,37,38)(H,36,39,40);2-15H,1H3,(H,29,30)(H,28,31,32);8,10-11H,4-7H2,1-3H3
InChIKeyHQHFZYIRHDCTLS-UHFFFAOYSA-N
MW1153.93 g/mol
LogP14.90
Rot. Bonds13

About 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine

4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 158555940) has the molecular formula C68H77ClN16 and a molecular weight of 1153.93 g/mol. Its IUPAC name is 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
PubChem CID158555940
Molecular FormulaC68H77ClN16
Molecular Weight1153.93 g/mol
Exact Mass1152.62
IUPAC Name4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine
SMILESCC(C)(C)NC1CCNCC1.Cc1cc(Nc2cc(Cl)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1.Cc1cc(Nc2cc(N3CCC(NC(C)(C)C)CC3)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C34H38N8.C25H19ClN6.C9H20N2/c1-23-20-26(11-12-28(23)39-33-36-17-13-29(40-33)24-8-7-16-35-22-24)37-32-21-31(27-9-5-6-10-30(27)38-32)42-18-14-25(15-19-42)41-34(2,3)4;1-16-13-18(29-24-14-20(26)19-6-2-3-7-23(19)30-24)8-9-21(16)31-25-28-12-10-22(32-25)17-5-4-11-27-15-17;1-9(2,3)11-8-4-6-10-7-5-8/h5-13,16-17,20-22,25,41H,14-15,18-19H2,1-4H3,(H,37,38)(H,36,39,40);2-15H,1H3,(H,29,30)(H,28,31,32);8,10-11H,4-7H2,1-3H3
InChIKeyHQHFZYIRHDCTLS-UHFFFAOYSA-N
XLogP14.90
TPSA190.57 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001153.93
LogP ≤ 514.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
Aminoquinazoline, 18
CID 24863671
Aminoisoquinoline, 12b
CID 44473101
Aminoisoquinoline, 13
CID 44473102
5-Methyl-6-[(6-quinolylamino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 463891
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
N4-[2-(2-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509542

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine (CID 158555940) is 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine is CC(C)(C)NC1CCNCC1.Cc1cc(Nc2cc(Cl)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1.Cc1cc(Nc2cc(N3CCC(NC(C)(C)C)CC3)c3ccccc3n2)ccc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is HQHFZYIRHDCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8.C25H19ClN6.C9H20N2/c1-23-20-26(11-12-28(23)39-33-36-17-13-29(40-33)24-8-7-16-35-22-24)37-32-21-31(27-9-5-6-10-30(27)38-32)42-18-14-25(15-19-42)41-34(2,3)4;1-16-13-18(29-24-14-20(26)19-6-2-3-7-23(19)30-24)8-9-21(16)31-25-28-12-10-22(32-25)17-5-4-11-27-15-17;1-9(2,3)11-8-4-6-10-7-5-8/h5-13,16-17,20-22,25,41H,14-15,18-19H2,1-4H3,(H,37,38)(H,36,39,40);2-15H,1H3,(H,29,30)(H,28,31,32);8,10-11H,4-7H2,1-3H3.
What are the key properties of 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine?
4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 1153.93 g/mol, XLogP of 14.90, 13 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[4-(tert-butylamino)piperidin-1-yl]quinolin-2-yl]-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine;N-tert-butylpiperidin-4-amine;4-N-(4-chloroquinolin-2-yl)-2-methyl-1-N-(4-pyridin-3-ylpyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 158555940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).