(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine

C15H18ClN3 — CID 81491962

IUPAC(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1ccc2cc(CN3CC[C@H](N)C3)c(Cl)nc2c1
InChIInChI=1S/C15H18ClN3/c1-10-2-3-11-7-12(15(16)18-14(11)6-10)8-19-5-4-13(17)9-19/h2-3,6-7,13H,4-5,8-9,17H2,1H3/t13-/m0/s1
InChIKeyXYGUZRZPUGTASC-ZDUSSCGKSA-N
MW275.78 g/mol
LogP2.73
Rot. Bonds2

About (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine

(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 81491962) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
PubChem CID81491962
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1ccc2cc(CN3CC[C@H](N)C3)c(Cl)nc2c1
InChIInChI=1S/C15H18ClN3/c1-10-2-3-11-7-12(15(16)18-14(11)6-10)8-19-5-4-13(17)9-19/h2-3,6-7,13H,4-5,8-9,17H2,1H3/t13-/m0/s1
InChIKeyXYGUZRZPUGTASC-ZDUSSCGKSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine (CID 81491962) is (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine is Cc1ccc2cc(CN3CC[C@H](N)C3)c(Cl)nc2c1.
What is the InChIKey of (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is XYGUZRZPUGTASC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-2-3-11-7-12(15(16)18-14(11)6-10)8-19-5-4-13(17)9-19/h2-3,6-7,13H,4-5,8-9,17H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine?
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 275.78 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81491962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).