N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine

C18H26IN3 — CID 12604276

IUPACN-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNc1ccnc2cc(I)ccc12
InChIInChI=1S/C18H26IN3/c1-3-11-22(12-4-2)13-5-9-20-17-8-10-21-18-14-15(19)6-7-16(17)18/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,21)
InChIKeyYKIKDDILLITTMA-UHFFFAOYSA-N
MW411.33 g/mol
LogP4.76
Rot. Bonds9

About N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine

N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine (PubChem CID 12604276) has the molecular formula C18H26IN3 and a molecular weight of 411.33 g/mol. Its IUPAC name is N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
PubChem CID12604276
Molecular FormulaC18H26IN3
Molecular Weight411.33 g/mol
Exact Mass411.12
IUPAC NameN-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CCCNc1ccnc2cc(I)ccc12
InChIInChI=1S/C18H26IN3/c1-3-11-22(12-4-2)13-5-9-20-17-8-10-21-18-14-15(19)6-7-16(17)18/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,21)
InChIKeyYKIKDDILLITTMA-UHFFFAOYSA-N
XLogP4.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-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-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine
CID 11847123
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
CID 11846959
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
7-methyl-N-propylquinolin-4-amine
CID 71072403
2-[3-[(7-methoxyquinolin-4-yl)amino]propyl-(2-nitrooxyethyl)amino]ethyl nitrate
CID 88828145
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
6-[[ethyl(propyl)amino]methyl]-4-[(7-iodoquinolin-4-yl)amino]cyclohexa-2,4-dien-1-ol
CID 153301338
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
N'-methyl-N-(7-methylquinolin-4-yl)-N'-[6-[(7-methylquinolin-4-yl)amino]hexyl]hexane-1,6-diamine
CID 130467289
N',N'-diethyl-N-(7-hexoxyquinolin-4-yl)ethane-1,2-diamine
CID 78324298

Frequently Asked Questions

What is the IUPAC name of N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine (CID 12604276) is N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CCCNc1ccnc2cc(I)ccc12.
What is the InChIKey of N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is YKIKDDILLITTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26IN3/c1-3-11-22(12-4-2)13-5-9-20-17-8-10-21-18-14-15(19)6-7-16(17)18/h6-8,10,14H,3-5,9,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine?
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 411.33 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 12604276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).