4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine

C14H16Cl2N2 — CID 82577818

IUPAC4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
SMILESCc1cc(CCCCN)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H16Cl2N2/c1-9-6-10(4-2-3-5-17)14-12(16)7-11(15)8-13(14)18-9/h6-8H,2-5,17H2,1H3
InChIKeyVAMBWBWTAGIDPA-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.13
Rot. Bonds4

About 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine

4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine (PubChem CID 82577818) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
PubChem CID82577818
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
SMILESCc1cc(CCCCN)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H16Cl2N2/c1-9-6-10(4-2-3-5-17)14-12(16)7-11(15)8-13(14)18-9/h6-8H,2-5,17H2,1H3
InChIKeyVAMBWBWTAGIDPA-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
CID 82576903
4-(5,6,8-trichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577824
4-(5,8-difluoro-2-methylquinolin-4-yl)butan-1-amine
CID 82577793
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
CID 82449427
4-(2,6-dimethylquinolin-4-yl)butan-1-amine
CID 82577777
5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422
4-(6-ethyl-2-methylquinolin-4-yl)butan-1-amine
CID 82577783
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
4-(4-chloro-2-methylphenyl)butan-1-amine
CID 82282107
5,7-dichloro-2-methylquinoline-4-carboxylate
CID 7200781
4-(5,7-dichloro-2-methylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82449443
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine?
The IUPAC name of 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine (CID 82577818) is 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine.
What is the SMILES notation for 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine?
The canonical SMILES for 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine is Cc1cc(CCCCN)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine?
The InChIKey is VAMBWBWTAGIDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9-6-10(4-2-3-5-17)14-12(16)7-11(15)8-13(14)18-9/h6-8H,2-5,17H2,1H3.
What are the key properties of 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine?
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine has a molecular weight of 283.20 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine is sourced from PubChem (CID 82577818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).