1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid

C25H36N3O5P — CID 22210394

IUPAC1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
SMILESCCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc12.O=P(O)(O)O
InChIInChI=1S/C25H33N3O.H3O4P/c1-5-28(6-2)16-10-11-19(3)26-25-18-24(20-12-8-7-9-13-20)27-23-15-14-21(29-4)17-22(23)25;1-5(2,3)4/h7-9,12-15,17-19H,5-6,10-11,16H2,1-4H3,(H,26,27);(H3,1,2,3,4)
InChIKeyJDQIDHUJPIHVHD-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.90
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid

1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid (PubChem CID 22210394) has the molecular formula C25H36N3O5P and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
PubChem CID22210394
Molecular FormulaC25H36N3O5P
Molecular Weight489.55 g/mol
Exact Mass489.24
IUPAC Name1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid
SMILESCCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc12.O=P(O)(O)O
InChIInChI=1S/C25H33N3O.H3O4P/c1-5-28(6-2)16-10-11-19(3)26-25-18-24(20-12-8-7-9-13-20)27-23-15-14-21(29-4)17-22(23)25;1-5(2,3)4/h7-9,12-15,17-19H,5-6,10-11,16H2,1-4H3,(H,26,27);(H3,1,2,3,4)
InChIKeyJDQIDHUJPIHVHD-UHFFFAOYSA-N
XLogP4.90
TPSA115.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768
4-(dibutylamino)-1-(6-methoxy-2-phenylquinolin-4-yl)butan-1-ol;dihydrochloride
CID 21146200
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 46091077
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
(4R)-4-N-[7-chloro-2-[(E)-2-(2-chlorophenyl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
CID 91826837
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid?
The IUPAC name of 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid (CID 22210394) is 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid is CCN(CC)CCCC(C)Nc1cc(-c2ccccc2)nc2ccc(OC)cc12.O=P(O)(O)O.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid?
The InChIKey is JDQIDHUJPIHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O.H3O4P/c1-5-28(6-2)16-10-11-19(3)26-25-18-24(20-12-8-7-9-13-20)27-23-15-14-21(29-4)17-22(23)25;1-5(2,3)4/h7-9,12-15,17-19H,5-6,10-11,16H2,1-4H3,(H,26,27);(H3,1,2,3,4).
What are the key properties of 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid?
1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid has a molecular weight of 489.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(6-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid is sourced from PubChem (CID 22210394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).