1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine

C17H19N3 — CID 66404673

IUPAC1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-16-5-2-4-15-6-3-8-19-17(15)16/h2-9,11,13H,10,12,18H2,1H3
InChIKeySCMRTYZHMBYZDY-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine

1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 66404673) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
PubChem CID66404673
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2cccc3cccnc23)c1
InChIInChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-16-5-2-4-15-6-3-8-19-17(15)16/h2-9,11,13H,10,12,18H2,1H3
InChIKeySCMRTYZHMBYZDY-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine (CID 66404673) is 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(Cc2cccc3cccnc23)c1.
What is the InChIKey of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is SCMRTYZHMBYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-16-5-2-4-15-6-3-8-19-17(15)16/h2-9,11,13H,10,12,18H2,1H3.
What are the key properties of 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66404673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).