N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine

C24H39N3O — CID 10715142

IUPACN',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C24H39N3O/c1-4-27(5-2)19-13-11-9-7-6-8-10-12-17-25-23-16-18-26-24-20-21(28-3)14-15-22(23)24/h14-16,18,20H,4-13,17,19H2,1-3H3,(H,25,26)
InChIKeyGEPFMUGJSUMOSD-UHFFFAOYSA-N
MW385.60 g/mol
LogP6.12
Rot. Bonds15

About N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine

N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine (PubChem CID 10715142) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine
PubChem CID10715142
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(OC)ccc12
InChIInChI=1S/C24H39N3O/c1-4-27(5-2)19-13-11-9-7-6-8-10-12-17-25-23-16-18-26-24-20-21(28-3)14-15-22(23)24/h14-16,18,20H,4-13,17,19H2,1-3H3,(H,25,26)
InChIKeyGEPFMUGJSUMOSD-UHFFFAOYSA-N
XLogP6.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.12
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

CID 4908
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CID 42548
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CID 68928
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CID 3044369
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CID 12213273
CID 12213273
CID 7023
CID 7023
CID 3075610
CID 3075610
CID 138363
CID 138363
CID 17654
CID 17654
CID 76659
CID 76659
CID 21558
CID 21558
CID 3075611
CID 3075611

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine?
The IUPAC name of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine (CID 10715142) is N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine.
What is the SMILES notation for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine?
The canonical SMILES for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine is CCN(CC)CCCCCCCCCCNc1ccnc2cc(OC)ccc12.
What is the InChIKey of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine?
The InChIKey is GEPFMUGJSUMOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-4-27(5-2)19-13-11-9-7-6-8-10-12-17-25-23-16-18-26-24-20-21(28-3)14-15-22(23)24/h14-16,18,20H,4-13,17,19H2,1-3H3,(H,25,26).
What are the key properties of N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine?
N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine has a molecular weight of 385.60 g/mol, XLogP of 6.12, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(7-methoxyquinolin-4-yl)decane-1,10-diamine is sourced from PubChem (CID 10715142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).