N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine

C29H28ClN5 — CID 58223366

IUPACN-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
SMILESCc1ccc2c(NCCc3cc(N)cc(CCNc4ccnc5cc(Cl)ccc45)c3)ccnc2c1
InChIInChI=1S/C29H28ClN5/c1-19-2-4-24-26(8-12-34-28(24)14-19)32-10-6-20-15-21(17-23(31)16-20)7-11-33-27-9-13-35-29-18-22(30)3-5-25(27)29/h2-5,8-9,12-18H,6-7,10-11,31H2,1H3,(H,32,34)(H,33,35)
InChIKeyHLYRTLABCFMWQQ-UHFFFAOYSA-N
MW482.03 g/mol
LogP6.64
Rot. Bonds8

About N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine

N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine (PubChem CID 58223366) has the molecular formula C29H28ClN5 and a molecular weight of 482.03 g/mol. Its IUPAC name is N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
PubChem CID58223366
Molecular FormulaC29H28ClN5
Molecular Weight482.03 g/mol
Exact Mass481.20
IUPAC NameN-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine
SMILESCc1ccc2c(NCCc3cc(N)cc(CCNc4ccnc5cc(Cl)ccc45)c3)ccnc2c1
InChIInChI=1S/C29H28ClN5/c1-19-2-4-24-26(8-12-34-28(24)14-19)32-10-6-20-15-21(17-23(31)16-20)7-11-33-27-9-13-35-29-18-22(30)3-5-25(27)29/h2-5,8-9,12-18H,6-7,10-11,31H2,1H3,(H,32,34)(H,33,35)
InChIKeyHLYRTLABCFMWQQ-UHFFFAOYSA-N
XLogP6.64
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.03
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine with MolForge

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Related Compounds

7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915
N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
CID 58223351
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
7-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]quinolin-4-amine
CID 78955180
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
N'-[[[(7-chloroquinolin-4-yl)amino]methyl-methylamino]methoxymethyl]-N'-methyl-N-(7-methylquinolin-4-yl)methanediamine
CID 155731585
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-ethyl-7-methylquinolin-4-amine
CID 89060504
7-chloro-N-[2-(cyclohexen-1-yl)ethyl]quinolin-4-amine
CID 11587318

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine?
The IUPAC name of N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine (CID 58223366) is N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine.
What is the SMILES notation for N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine?
The canonical SMILES for N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine is Cc1ccc2c(NCCc3cc(N)cc(CCNc4ccnc5cc(Cl)ccc45)c3)ccnc2c1.
What is the InChIKey of N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine?
The InChIKey is HLYRTLABCFMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN5/c1-19-2-4-24-26(8-12-34-28(24)14-19)32-10-6-20-15-21(17-23(31)16-20)7-11-33-27-9-13-35-29-18-22(30)3-5-25(27)29/h2-5,8-9,12-18H,6-7,10-11,31H2,1H3,(H,32,34)(H,33,35).
What are the key properties of N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine?
N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine has a molecular weight of 482.03 g/mol, XLogP of 6.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-5-[2-[(7-chloroquinolin-4-yl)amino]ethyl]phenyl]ethyl]-7-methylquinolin-4-amine is sourced from PubChem (CID 58223366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).