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

C23H22FN3O — CID 11188024

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
SMILESFc1ccc2[nH]cc(CCCNC3COc4c(ccc5ncccc45)C3)c2c1
InChIInChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2
InChIKeyQAFKQHROGWDLNJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.38
Rot. Bonds5

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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine (PubChem CID 11188024) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
PubChem CID11188024
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine
SMILESFc1ccc2[nH]cc(CCCNC3COc4c(ccc5ncccc45)C3)c2c1
InChIInChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2
InChIKeyQAFKQHROGWDLNJ-UHFFFAOYSA-N
XLogP4.38
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.38
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine (CID 11188024) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine is Fc1ccc2[nH]cc(CCCNC3COc4c(ccc5ncccc45)C3)c2c1.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
The InChIKey is QAFKQHROGWDLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-17-6-8-22-20(12-17)16(13-27-22)3-1-9-25-18-11-15-5-7-21-19(4-2-10-26-21)23(15)28-14-18/h2,4-8,10,12-13,18,25,27H,1,3,9,11,14H2.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine has a molecular weight of 375.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-3,4-dihydro-2H-pyrano[2,3-f]quinolin-3-amine is sourced from PubChem (CID 11188024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).