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

C18H21N3 — CID 66405485

IUPAC1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1cccc2cccnc12
InChIInChI=1S/C18H21N3/c1-2-16(19)12-17-9-5-11-21(17)13-15-7-3-6-14-8-4-10-20-18(14)15/h3-11,16H,2,12-13,19H2,1H3
InChIKeyFFXAGIUIBTWKDM-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.36
Rot. Bonds5

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

1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine (PubChem CID 66405485) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
PubChem CID66405485
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1cccc2cccnc12
InChIInChI=1S/C18H21N3/c1-2-16(19)12-17-9-5-11-21(17)13-15-7-3-6-14-8-4-10-20-18(14)15/h3-11,16H,2,12-13,19H2,1H3
InChIKeyFFXAGIUIBTWKDM-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
CID 112651314
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
1-(quinolin-8-ylmethylsulfanyl)butan-2-amine
CID 66227986
1-quinolin-8-ylpropan-2-amine
CID 63968867
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
1-[1-[(4-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 114859185
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405884
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
1-(quinolin-8-ylmethylsulfinyl)butan-2-amine
CID 81193448

Frequently Asked Questions

What is the IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine (CID 66405485) is 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1cccc2cccnc12.
What is the InChIKey of 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine?
The InChIKey is FFXAGIUIBTWKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-16(19)12-17-9-5-11-21(17)13-15-7-3-6-14-8-4-10-20-18(14)15/h3-11,16H,2,12-13,19H2,1H3.
What are the key properties of 1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine?
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.36, 5 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-2-yl]butan-2-amine is sourced from PubChem (CID 66405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).