N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine

C21H26ClN3O — CID 11846959

IUPACN-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
SMILESCCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccco1
InChIInChI=1S/C21H26ClN3O/c1-2-12-25(16-18-6-5-14-26-18)13-4-3-10-23-20-9-11-24-21-15-17(22)7-8-19(20)21/h5-9,11,14-15H,2-4,10,12-13,16H2,1H3,(H,23,24)
InChIKeyPMPZTWLXIDYKFN-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.59
Rot. Bonds10

About N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine

N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine (PubChem CID 11846959) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
PubChem CID11846959
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine
SMILESCCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccco1
InChIInChI=1S/C21H26ClN3O/c1-2-12-25(16-18-6-5-14-26-18)13-4-3-10-23-20-9-11-24-21-15-17(22)7-8-19(20)21/h5-9,11,14-15H,2-4,10,12-13,16H2,1H3,(H,23,24)
InChIKeyPMPZTWLXIDYKFN-UHFFFAOYSA-N
XLogP5.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.59
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'-[(5-chlorofuran-2-yl)methyl]-N-(7-chloroquinolin-4-yl)-N'-propylpropane-1,3-diamine
CID 11847123
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
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
2-[[3-[(7-chloroquinolin-4-yl)amino]propyl-propylamino]methyl]-6-nitrophenol
CID 11846809
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N'-benzyl-N-(7-chloroquinolin-4-yl)-N'-(furan-3-ylmethyl)propane-1,3-diamine
CID 11407085
CID 11847142
CID 11847142
N-(7-iodoquinolin-4-yl)-N',N'-dipropylpropane-1,3-diamine
CID 12604276
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine (CID 11846959) is N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine is CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1ccco1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine?
The InChIKey is PMPZTWLXIDYKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-2-12-25(16-18-6-5-14-26-18)13-4-3-10-23-20-9-11-24-21-15-17(22)7-8-19(20)21/h5-9,11,14-15H,2-4,10,12-13,16H2,1H3,(H,23,24).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine?
N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine has a molecular weight of 371.91 g/mol, XLogP of 5.59, 10 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'-(furan-2-ylmethyl)-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 11846959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).