1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine

C22H25N3O — CID 97217638

IUPAC1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
SMILESCOc1cccc(N2CC[C@H](CNCc3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H25N3O/c1-26-21-9-3-8-20(13-21)25-12-10-17(16-25)14-23-15-19-6-2-5-18-7-4-11-24-22(18)19/h2-9,11,13,17,23H,10,12,14-16H2,1H3/t17-/m1/s1
InChIKeyZCLQWEITICGFBB-QGZVFWFLSA-N
MW347.46 g/mol
LogP3.86
Rot. Bonds6

About 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine

1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 97217638) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
PubChem CID97217638
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine
SMILESCOc1cccc(N2CC[C@H](CNCc3cccc4cccnc34)C2)c1
InChIInChI=1S/C22H25N3O/c1-26-21-9-3-8-20(13-21)25-12-10-17(16-25)14-23-15-19-6-2-5-18-7-4-11-24-22(18)19/h2-9,11,13,17,23H,10,12,14-16H2,1H3/t17-/m1/s1
InChIKeyZCLQWEITICGFBB-QGZVFWFLSA-N
XLogP3.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine (CID 97217638) is 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine is COc1cccc(N2CC[C@H](CNCc3cccc4cccnc34)C2)c1.
What is the InChIKey of 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is ZCLQWEITICGFBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N3O/c1-26-21-9-3-8-20(13-21)25-12-10-17(16-25)14-23-15-19-6-2-5-18-7-4-11-24-22(18)19/h2-9,11,13,17,23H,10,12,14-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine?
1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 347.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 97217638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).