N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine

C19H21FN4 — CID 55855511

IUPACN'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ncnc2cccc(F)c12)Cc1ccccc1
InChIInChI=1S/C19H21FN4/c1-24(13-15-7-3-2-4-8-15)12-6-11-21-19-18-16(20)9-5-10-17(18)22-14-23-19/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,22,23)
InChIKeyJVCKWWWMLPWUJF-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.70
Rot. Bonds7

About N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine

N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine (PubChem CID 55855511) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine
PubChem CID55855511
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCNc1ncnc2cccc(F)c12)Cc1ccccc1
InChIInChI=1S/C19H21FN4/c1-24(13-15-7-3-2-4-8-15)12-6-11-21-19-18-16(20)9-5-10-17(18)22-14-23-19/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,22,23)
InChIKeyJVCKWWWMLPWUJF-UHFFFAOYSA-N
XLogP3.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.70
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'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560
N'-benzyl-N-(2,5-dichloropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 79639329
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
N'-benzyl-N-[3-(3,5-difluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 46359474
4-[4-(dimethylamino)butylamino]quinazoline-5-carboxylic acid;hydrochloride
CID 20982537
N'-benzyl-N-(5-iodopyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115620645
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
4-N-[3-[benzyl(methyl)amino]propyl]-5-methylpyrimidine-2,4-diamine
CID 80771946
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
4-[3-[benzyl(methyl)amino]propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136973680

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine (CID 55855511) is N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine is CN(CCCNc1ncnc2cccc(F)c12)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is JVCKWWWMLPWUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c1-24(13-15-7-3-2-4-8-15)12-6-11-21-19-18-16(20)9-5-10-17(18)22-14-23-19/h2-5,7-10,14H,6,11-13H2,1H3,(H,21,22,23).
What are the key properties of N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine?
N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 324.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(5-fluoroquinazolin-4-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 55855511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).