N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine

C18H23FN4 — CID 57412102

IUPACN',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nccc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C18H23FN4/c1-3-23(4-2)11-5-9-20-18-17-14(8-10-21-18)15-12-13(19)6-7-16(15)22-17/h6-8,10,12,22H,3-5,9,11H2,1-2H3,(H,20,21)
InChIKeyVOSPDTYRLCQFLV-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.00
Rot. Bonds7

About N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine

N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine (PubChem CID 57412102) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
PubChem CID57412102
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1nccc2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C18H23FN4/c1-3-23(4-2)11-5-9-20-18-17-14(8-10-21-18)15-12-13(19)6-7-16(15)22-17/h6-8,10,12,22H,3-5,9,11H2,1-2H3,(H,20,21)
InChIKeyVOSPDTYRLCQFLV-UHFFFAOYSA-N
XLogP4.00
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-[6-(4-fluorophenyl)-8-methoxyquinazolin-4-yl]propane-1,3-diamine
CID 155728509
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
CID 2005544
1-N,1-N-diethyl-4-N-(9-hydroperoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)pentane-1,4-diamine;hydrate
CID 90475800
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
N-[3-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 59238879
8-fluoro-1-(octylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582762
8-fluoro-1-(heptylamino)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582702
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
3-[4-[3-(diethylamino)propylamino]furan-2-yl]-6-fluoro-1H-indol-2-ol
CID 91050574
1-N-[2-(diethylamino)ethyl]isoquinoline-1,5-diamine
CID 82570281
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
8-N-[3-(diethylamino)propyl]-7-fluoroquinoline-5,8-diamine
CID 83163867

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine (CID 57412102) is N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine is CCN(CC)CCCNc1nccc2c1[nH]c1ccc(F)cc12.
What is the InChIKey of N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine?
The InChIKey is VOSPDTYRLCQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-3-23(4-2)11-5-9-20-18-17-14(8-10-21-18)15-12-13(19)6-7-16(15)22-17/h6-8,10,12,22H,3-5,9,11H2,1-2H3,(H,20,21).
What are the key properties of N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine?
N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine has a molecular weight of 314.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-fluoro-9H-pyrido[3,4-b]indol-1-yl)propane-1,3-diamine is sourced from PubChem (CID 57412102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).