1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine

C17H19N3 — CID 79240540

IUPAC1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2ccnc3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-15-6-8-19-17-5-3-2-4-16(15)17/h2-9,11,13H,10,12,18H2,1H3
InChIKeyVDGOUCFUIWJNCZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.97
Rot. Bonds4

About 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine

1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 79240540) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
PubChem CID79240540
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(Cc2ccnc3ccccc23)c1
InChIInChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-15-6-8-19-17-5-3-2-4-16(15)17/h2-9,11,13H,10,12,18H2,1H3
InChIKeyVDGOUCFUIWJNCZ-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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Related Compounds

1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404476
cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
CID 79231730
1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404482
1-[1-(2-methylpropyl)pyrrol-3-yl]propan-2-amine
CID 66406296
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
CID 79240800
1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66398211
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66397357

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine (CID 79240540) is 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(Cc2ccnc3ccccc23)c1.
What is the InChIKey of 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is VDGOUCFUIWJNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(18)10-14-7-9-20(11-14)12-15-6-8-19-17-5-3-2-4-16(15)17/h2-9,11,13H,10,12,18H2,1H3.
What are the key properties of 1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(quinolin-4-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-4-ylmethyl)pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 79240540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).