8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine

C16H20ClN3 — CID 164638790

IUPAC8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine
SMILESCCN1CC[C@H](CNc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C16H20ClN3/c1-2-20-9-8-12(11-20)10-18-15-7-6-13-4-3-5-14(17)16(13)19-15/h3-7,12H,2,8-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyNVOFWRPPERUXOC-GFCCVEGCSA-N
MW289.81 g/mol
LogP3.64
Rot. Bonds4

About 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine

8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine (PubChem CID 164638790) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine
PubChem CID164638790
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine
SMILESCCN1CC[C@H](CNc2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C16H20ClN3/c1-2-20-9-8-12(11-20)10-18-15-7-6-13-4-3-5-14(17)16(13)19-15/h3-7,12H,2,8-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyNVOFWRPPERUXOC-GFCCVEGCSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine (CID 164638790) is 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine is CCN1CC[C@H](CNc2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine?
The InChIKey is NVOFWRPPERUXOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-20-9-8-12(11-20)10-18-15-7-6-13-4-3-5-14(17)16(13)19-15/h3-7,12H,2,8-11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine?
8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]quinolin-2-amine is sourced from PubChem (CID 164638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).