N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine

C20H23Cl2N3O — CID 11847123

IUPACN'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(Cl)o1
InChIInChI=1S/C20H23Cl2N3O/c1-2-11-25(14-16-5-7-20(22)26-16)12-3-9-23-18-8-10-24-19-13-15(21)4-6-17(18)19/h4-8,10,13H,2-3,9,11-12,14H2,1H3,(H,23,24)
InChIKeyUEWWRQJMVHQKJG-UHFFFAOYSA-N
MW392.33 g/mol
LogP5.85
Rot. Bonds9

About N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine

N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine (PubChem CID 11847123) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine
PubChem CID11847123
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(Cl)o1
InChIInChI=1S/C20H23Cl2N3O/c1-2-11-25(14-16-5-7-20(22)26-16)12-3-9-23-18-8-10-24-19-13-15(21)4-6-17(18)19/h4-8,10,13H,2-3,9,11-12,14H2,1H3,(H,23,24)
InChIKeyUEWWRQJMVHQKJG-UHFFFAOYSA-N
XLogP5.85
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
CID 11846959
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-butyl-7-chloroquinolin-4-amine
CID 10037042
2-[[3-[(7-chloroquinolin-4-yl)amino]propyl-propylamino]methyl]-6-nitrophenol
CID 11846809
N'-benzyl-N-(7-chloroquinolin-4-yl)-N'-(furan-3-ylmethyl)propane-1,3-diamine
CID 11407085
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
CID 12604276
CID 11847142
CID 11847142
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
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-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine (CID 11847123) is N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccc(Cl)o1.
What is the InChIKey of N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is UEWWRQJMVHQKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-2-11-25(14-16-5-7-20(22)26-16)12-3-9-23-18-8-10-24-19-13-15(21)4-6-17(18)19/h4-8,10,13H,2-3,9,11-12,14H2,1H3,(H,23,24).
What are the key properties of N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine?
N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 392.33 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 11847123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).