[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol

C15H19N3O — CID 69305279

IUPAC[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC[C@H]2CO)c2ccc(N)cc2n1
InChIInChI=1S/C15H19N3O/c1-10-7-15(18-6-2-3-12(18)9-19)13-5-4-11(16)8-14(13)17-10/h4-5,7-8,12,19H,2-3,6,9,16H2,1H3/t12-/m0/s1
InChIKeyCTOKVDGFJMEMLN-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds2

About [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 69305279) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID69305279
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC[C@H]2CO)c2ccc(N)cc2n1
InChIInChI=1S/C15H19N3O/c1-10-7-15(18-6-2-3-12(18)9-19)13-5-4-11(16)8-14(13)17-10/h4-5,7-8,12,19H,2-3,6,9,16H2,1H3/t12-/m0/s1
InChIKeyCTOKVDGFJMEMLN-LBPRGKRZSA-N
XLogP2.09
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol (CID 69305279) is [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol is Cc1cc(N2CCC[C@H]2CO)c2ccc(N)cc2n1.
What is the InChIKey of [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is CTOKVDGFJMEMLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-7-15(18-6-2-3-12(18)9-19)13-5-4-11(16)8-14(13)17-10/h4-5,7-8,12,19H,2-3,6,9,16H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 257.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 69305279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).