N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine

C28H32ClN5 — CID 58223351

IUPACN-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
SMILESCc1ccc2c(NCCC3CCCC(CCNc4ccnc5cc(Cl)ccc45)N3)ccnc2c1
InChIInChI=1S/C28H32ClN5/c1-19-5-7-23-25(11-15-32-27(23)17-19)30-13-9-21-3-2-4-22(34-21)10-14-31-26-12-16-33-28-18-20(29)6-8-24(26)28/h5-8,11-12,15-18,21-22,34H,2-4,9-10,13-14H2,1H3,(H,30,32)(H,31,33)
InChIKeyBEMXKLNRAJSNJV-UHFFFAOYSA-N
MW474.05 g/mol
LogP6.56
Rot. Bonds8

About N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine

N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine (PubChem CID 58223351) has the molecular formula C28H32ClN5 and a molecular weight of 474.05 g/mol. Its IUPAC name is N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
PubChem CID58223351
Molecular FormulaC28H32ClN5
Molecular Weight474.05 g/mol
Exact Mass473.23
IUPAC NameN-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
SMILESCc1ccc2c(NCCC3CCCC(CCNc4ccnc5cc(Cl)ccc45)N3)ccnc2c1
InChIInChI=1S/C28H32ClN5/c1-19-5-7-23-25(11-15-32-27(23)17-19)30-13-9-21-3-2-4-22(34-21)10-14-31-26-12-16-33-28-18-20(29)6-8-24(26)28/h5-8,11-12,15-18,21-22,34H,2-4,9-10,13-14H2,1H3,(H,30,32)(H,31,33)
InChIKeyBEMXKLNRAJSNJV-UHFFFAOYSA-N
XLogP6.56
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
CID 58223366
N'-[[[(7-chloroquinolin-4-yl)amino]methyl-methylamino]methoxymethyl]-N'-methyl-N-(7-methylquinolin-4-yl)methanediamine
CID 155731585
7-chloro-N-[[3-[[(7-chloroquinolin-4-yl)amino]methyl]cyclohexyl]methyl]quinolin-4-amine
CID 54463562
7-methyl-N-propylquinolin-4-amine
CID 71072403
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
CID 42743654
N-ethyl-7-methylquinolin-4-amine
CID 89060504

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine?
The IUPAC name of N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine (CID 58223351) is N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine.
What is the SMILES notation for N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine?
The canonical SMILES for N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine is Cc1ccc2c(NCCC3CCCC(CCNc4ccnc5cc(Cl)ccc45)N3)ccnc2c1.
What is the InChIKey of N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine?
The InChIKey is BEMXKLNRAJSNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5/c1-19-5-7-23-25(11-15-32-27(23)17-19)30-13-9-21-3-2-4-22(34-21)10-14-31-26-12-16-33-28-18-20(29)6-8-24(26)28/h5-8,11-12,15-18,21-22,34H,2-4,9-10,13-14H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine?
N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine has a molecular weight of 474.05 g/mol, XLogP of 6.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine is sourced from PubChem (CID 58223351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).