N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine

C18H27N3O — CID 21558

IUPACN-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
SMILESCOc1cc(NCCCCCNC(C)C)c2ncccc2c1
InChIInChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3
InChIKeyVKXQZROIIKPELG-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.82
Rot. Bonds9

About N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine

N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 21558) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
PubChem CID21558
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine
SMILESCOc1cc(NCCCCCNC(C)C)c2ncccc2c1
InChIInChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3
InChIKeyVKXQZROIIKPELG-UHFFFAOYSA-N
XLogP3.82
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine (CID 21558) is N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine is COc1cc(NCCCCCNC(C)C)c2ncccc2c1.
What is the InChIKey of N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is VKXQZROIIKPELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3.
What are the key properties of N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine?
N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 301.43 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 21558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).