1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine

C17H22ClN3 — CID 79874159

IUPAC1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCc1ccc2cc(CN3CCC(N)C(C)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN3/c1-11-3-4-13-8-14(17(18)20-16(13)7-11)10-21-6-5-15(19)12(2)9-21/h3-4,7-8,12,15H,5-6,9-10,19H2,1-2H3
InChIKeyFOCKPQDXSBSIJO-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.37
Rot. Bonds2

About 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine

1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 79874159) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID79874159
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCc1ccc2cc(CN3CCC(N)C(C)C3)c(Cl)nc2c1
InChIInChI=1S/C17H22ClN3/c1-11-3-4-13-8-14(17(18)20-16(13)7-11)10-21-6-5-15(19)12(2)9-21/h3-4,7-8,12,15H,5-6,9-10,19H2,1-2H3
InChIKeyFOCKPQDXSBSIJO-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.37
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

(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79994339
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
CID 62654035
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925159
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine (CID 79874159) is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine is Cc1ccc2cc(CN3CCC(N)C(C)C3)c(Cl)nc2c1.
What is the InChIKey of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is FOCKPQDXSBSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-11-3-4-13-8-14(17(18)20-16(13)7-11)10-21-6-5-15(19)12(2)9-21/h3-4,7-8,12,15H,5-6,9-10,19H2,1-2H3.
What are the key properties of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine?
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 303.84 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79874159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).