N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine

C28H31ClN4 — CID 58476704

IUPACN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
SMILESCN(CCCCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31ClN4/c1-32(20-21-33(24-10-4-2-5-11-24)25-12-6-3-7-13-25)19-9-8-17-30-27-16-18-31-28-22-23(29)14-15-26(27)28/h2-7,10-16,18,22H,8-9,17,19-21H2,1H3,(H,30,31)
InChIKeyNCGQEBLODPFDNB-UHFFFAOYSA-N
MW459.04 g/mol
LogP6.85
Rot. Bonds11

About N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine

N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine (PubChem CID 58476704) has the molecular formula C28H31ClN4 and a molecular weight of 459.04 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
PubChem CID58476704
Molecular FormulaC28H31ClN4
Molecular Weight459.04 g/mol
Exact Mass458.22
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
SMILESCN(CCCCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31ClN4/c1-32(20-21-33(24-10-4-2-5-11-24)25-12-6-3-7-13-25)19-9-8-17-30-27-16-18-31-28-22-23(29)14-15-26(27)28/h2-7,10-16,18,22H,8-9,17,19-21H2,1H3,(H,30,31)
InChIKeyNCGQEBLODPFDNB-UHFFFAOYSA-N
XLogP6.85
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.04
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-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

N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide
CID 58476701
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
CID 130467289
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N,N'-bis(7-chloroquinolin-4-yl)-N'-[2-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl-methylamino]ethyl]ethane-1,2-diamine;N-(7-chloroquinolin-4-yl)-N'-[2-[(7-chloroquinolin-4-yl)-[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]-N'-methylethane-1,2-diamine
CID 160577871
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
CID 70870191
CID 70870191

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine (CID 58476704) is N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine is CN(CCCCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine?
The InChIKey is NCGQEBLODPFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN4/c1-32(20-21-33(24-10-4-2-5-11-24)25-12-6-3-7-13-25)19-9-8-17-30-27-16-18-31-28-22-23(29)14-15-26(27)28/h2-7,10-16,18,22H,8-9,17,19-21H2,1H3,(H,30,31).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine?
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine has a molecular weight of 459.04 g/mol, XLogP of 6.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine is sourced from PubChem (CID 58476704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).