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

C25H26FN3O — CID 11486499

IUPACN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1
InChIInChI=1S/C25H26FN3O/c1-2-11-29(12-9-17-15-28-24-6-5-18(26)13-21(17)24)19-14-22-20-4-3-10-27-23(20)7-8-25(22)30-16-19/h3-8,10,13,15,19,28H,2,9,11-12,14,16H2,1H3
InChIKeyCQHDSXVWMDCTFE-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.11
Rot. Bonds6

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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine (PubChem CID 11486499) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
PubChem CID11486499
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
SMILESCCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1
InChIInChI=1S/C25H26FN3O/c1-2-11-29(12-9-17-15-28-24-6-5-18(26)13-21(17)24)19-14-22-20-4-3-10-27-23(20)7-8-25(22)30-16-19/h3-8,10,13,15,19,28H,2,9,11-12,14,16H2,1H3
InChIKeyCQHDSXVWMDCTFE-UHFFFAOYSA-N
XLogP5.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine (CID 11486499) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine is CCCN(CCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The InChIKey is CQHDSXVWMDCTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-2-11-29(12-9-17-15-28-24-6-5-18(26)13-21(17)24)19-14-22-20-4-3-10-27-23(20)7-8-25(22)30-16-19/h3-8,10,13,15,19,28H,2,9,11-12,14,16H2,1H3.
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine has a molecular weight of 403.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine is sourced from PubChem (CID 11486499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).