N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine

C27H30FN3O — CID 11293369

IUPACN-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
SMILESCCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(ccc3ncccc23)C1
InChIInChI=1S/C27H30FN3O/c1-2-13-31(14-4-3-6-20-17-30-26-11-9-21(28)16-24(20)26)22-15-19-8-10-25-23(7-5-12-29-25)27(19)32-18-22/h5,7-12,16-17,22,30H,2-4,6,13-15,18H2,1H3
InChIKeyGWEJVOZVKXCEIR-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.89
Rot. Bonds8

About N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine

N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine (PubChem CID 11293369) has the molecular formula C27H30FN3O and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine.

Molecular Properties

Compound NameN-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
PubChem CID11293369
Molecular FormulaC27H30FN3O
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC NameN-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
SMILESCCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(ccc3ncccc23)C1
InChIInChI=1S/C27H30FN3O/c1-2-13-31(14-4-3-6-20-17-30-26-11-9-21(28)16-24(20)26)22-15-19-8-10-25-23(7-5-12-29-25)27(19)32-18-22/h5,7-12,16-17,22,30H,2-4,6,13-15,18H2,1H3
InChIKeyGWEJVOZVKXCEIR-UHFFFAOYSA-N
XLogP5.89
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The IUPAC name of N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine (CID 11293369) is N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine.
What is the SMILES notation for N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The canonical SMILES for N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine is CCCN(CCCCc1c[nH]c2ccc(F)cc12)C1COc2c(ccc3ncccc23)C1.
What is the InChIKey of N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The InChIKey is GWEJVOZVKXCEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O/c1-2-13-31(14-4-3-6-20-17-30-26-11-9-21(28)16-24(20)26)22-15-19-8-10-25-23(7-5-12-29-25)27(19)32-18-22/h5,7-12,16-17,22,30H,2-4,6,13-15,18H2,1H3.
What are the key properties of N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine has a molecular weight of 431.56 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-1H-indol-3-yl)butyl]-N-propyl-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine is sourced from PubChem (CID 11293369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).