N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine

C16H18Cl2N2 — CID 82449372

IUPACN-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc(CNC2CCCC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C16H18Cl2N2/c1-10-6-11(9-19-13-4-2-3-5-13)14-7-12(17)8-15(18)16(14)20-10/h6-8,13,19H,2-5,9H2,1H3
InChIKeyYXGOKSSIHLGMCP-UHFFFAOYSA-N
MW309.24 g/mol
LogP4.88
Rot. Bonds3

About N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine

N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine (PubChem CID 82449372) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
PubChem CID82449372
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC NameN-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
SMILESCc1cc(CNC2CCCC2)c2cc(Cl)cc(Cl)c2n1
InChIInChI=1S/C16H18Cl2N2/c1-10-6-11(9-19-13-4-2-3-5-13)14-7-12(17)8-15(18)16(14)20-10/h6-8,13,19H,2-5,9H2,1H3
InChIKeyYXGOKSSIHLGMCP-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427
N-[(2-methyl-8-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448040
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
N-[(6,8-dimethyl-2-propan-2-ylquinolin-4-yl)methyl]cyclopentanamine
CID 82448549
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
N-[(5-chloro-3-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopentanamine
CID 2238645
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine (CID 82449372) is N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine is Cc1cc(CNC2CCCC2)c2cc(Cl)cc(Cl)c2n1.
What is the InChIKey of N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine?
The InChIKey is YXGOKSSIHLGMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-10-6-11(9-19-13-4-2-3-5-13)14-7-12(17)8-15(18)16(14)20-10/h6-8,13,19H,2-5,9H2,1H3.
What are the key properties of N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine?
N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine has a molecular weight of 309.24 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 82449372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).