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

C26H28FN3O — CID 11339067

IUPACN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1
InChIInChI=1S/C26H28FN3O/c1-2-12-30(13-4-5-18-16-29-25-8-7-19(27)14-22(18)25)20-15-23-21-6-3-11-28-24(21)9-10-26(23)31-17-20/h3,6-11,14,16,20,29H,2,4-5,12-13,15,17H2,1H3
InChIKeyIAOGMLSADOILPN-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.50
Rot. Bonds7

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

N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine (PubChem CID 11339067) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
PubChem CID11339067
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
SMILESCCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1
InChIInChI=1S/C26H28FN3O/c1-2-12-30(13-4-5-18-16-29-25-8-7-19(27)14-22(18)25)20-15-23-21-6-3-11-28-24(21)9-10-26(23)31-17-20/h3,6-11,14,16,20,29H,2,4-5,12-13,15,17H2,1H3
InChIKeyIAOGMLSADOILPN-UHFFFAOYSA-N
XLogP5.50
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The IUPAC name of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine (CID 11339067) is N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine.
What is the SMILES notation for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The canonical SMILES for N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine is CCCN(CCCc1c[nH]c2ccc(F)cc12)C1COc2ccc3ncccc3c2C1.
What is the InChIKey of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
The InChIKey is IAOGMLSADOILPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-2-12-30(13-4-5-18-16-29-25-8-7-19(27)14-22(18)25)20-15-23-21-6-3-11-28-24(21)9-10-26(23)31-17-20/h3,6-11,14,16,20,29H,2,4-5,12-13,15,17H2,1H3.
What are the key properties of N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine?
N-[3-(5-fluoro-1H-indol-3-yl)propyl]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine has a molecular weight of 417.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 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]-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine is sourced from PubChem (CID 11339067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).