6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine

C15H18BrN3 — CID 43621293

IUPAC6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
SMILESCN(c1c(N)cnc2ccc(Br)cc12)C1CCCC1
InChIInChI=1S/C15H18BrN3/c1-19(11-4-2-3-5-11)15-12-8-10(16)6-7-14(12)18-9-13(15)17/h6-9,11H,2-5,17H2,1H3
InChIKeyKFAAKVRBLMNIPQ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.96
Rot. Bonds2

About 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine

6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine (PubChem CID 43621293) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine.

Molecular Properties

Compound Name6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
PubChem CID43621293
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
SMILESCN(c1c(N)cnc2ccc(Br)cc12)C1CCCC1
InChIInChI=1S/C15H18BrN3/c1-19(11-4-2-3-5-11)15-12-8-10(16)6-7-14(12)18-9-13(15)17/h6-9,11H,2-5,17H2,1H3
InChIKeyKFAAKVRBLMNIPQ-UHFFFAOYSA-N
XLogP3.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine?
The IUPAC name of 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine (CID 43621293) is 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine.
What is the SMILES notation for 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine?
The canonical SMILES for 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine is CN(c1c(N)cnc2ccc(Br)cc12)C1CCCC1.
What is the InChIKey of 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine?
The InChIKey is KFAAKVRBLMNIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(11-4-2-3-5-11)15-12-8-10(16)6-7-14(12)18-9-13(15)17/h6-9,11H,2-5,17H2,1H3.
What are the key properties of 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine?
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine has a molecular weight of 320.23 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine is sourced from PubChem (CID 43621293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).