N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C20H26ClN3O — CID 7456798

IUPACN-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESClc1nc2ccccc2c(N2CCCCC2)c1CNC[C@@H]1CCCO1
InChIInChI=1S/C20H26ClN3O/c21-20-17(14-22-13-15-7-6-12-25-15)19(24-10-4-1-5-11-24)16-8-2-3-9-18(16)23-20/h2-3,8-9,15,22H,1,4-7,10-14H2/t15-/m0/s1
InChIKeyKOELIPIJQZKMQZ-HNNXBMFYSA-N
MW359.90 g/mol
LogP4.15
Rot. Bonds5

About N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 7456798) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID7456798
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESClc1nc2ccccc2c(N2CCCCC2)c1CNC[C@@H]1CCCO1
InChIInChI=1S/C20H26ClN3O/c21-20-17(14-22-13-15-7-6-12-25-15)19(24-10-4-1-5-11-24)16-8-2-3-9-18(16)23-20/h2-3,8-9,15,22H,1,4-7,10-14H2/t15-/m0/s1
InChIKeyKOELIPIJQZKMQZ-HNNXBMFYSA-N
XLogP4.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224
1-[(3-chlorophenyl)methyl]-3-[(oxolan-2-ylmethylamino)methyl]indole-2-carboxylic acid
CID 126457150
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
1-(oxolan-2-yl)-N-(quinolin-5-ylmethyl)methanamine
CID 55061002
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849
2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1294028
2-morpholin-4-yl-N-(oxolan-2-ylmethyl)quinazolin-4-amine chloride
CID 53351083
N-[(2,3-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458212
N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51992125
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 35698346

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 7456798) is N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is Clc1nc2ccccc2c(N2CCCCC2)c1CNC[C@@H]1CCCO1.
What is the InChIKey of N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is KOELIPIJQZKMQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c21-20-17(14-22-13-15-7-6-12-25-15)19(24-10-4-1-5-11-24)16-8-2-3-9-18(16)23-20/h2-3,8-9,15,22H,1,4-7,10-14H2/t15-/m0/s1.
What are the key properties of N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 359.90 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-piperidin-1-ylquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 7456798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).