[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine

C15H18ClN3 — CID 62062000

IUPAC[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc3ccccc3nc2Cl)C1
InChIInChI=1S/C15H18ClN3/c16-15-13(10-19-6-5-11(8-17)9-19)7-12-3-1-2-4-14(12)18-15/h1-4,7,11H,5-6,8-10,17H2
InChIKeySXOAPTHPYIPWKL-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.67
Rot. Bonds3

About [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62062000) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62062000
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2cc3ccccc3nc2Cl)C1
InChIInChI=1S/C15H18ClN3/c16-15-13(10-19-6-5-11(8-17)9-19)7-12-3-1-2-4-14(12)18-15/h1-4,7,11H,5-6,8-10,17H2
InChIKeySXOAPTHPYIPWKL-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.67
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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Related Compounds

[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
2-chloro-3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 63611068
2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
CID 95154123
2-chloro-3-[(3,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 63874080
4-[(2-chloroquinolin-3-yl)methyl]-2-methyl-1,4-oxazepane
CID 62988336
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]benzene-1,3-diol
CID 62069266
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine (CID 62062000) is [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2cc3ccccc3nc2Cl)C1.
What is the InChIKey of [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is SXOAPTHPYIPWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-15-13(10-19-6-5-11(8-17)9-19)7-12-3-1-2-4-14(12)18-15/h1-4,7,11H,5-6,8-10,17H2.
What are the key properties of [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62062000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).